Call +1 (833) 552-7181 or Contact us Earn $25 in coupons on your first order with Aladdin!
Toggle Nav
My Cart
Search
Advanced Search
Menu
Sign In
྾

HNP-3

main product photo

ID: ALA499388

PubChem CID: 16130868

Max Phase: Preclinical

Molecular Formula: C151H222N44O40S6

Molecular Weight: 3486.11

Molecule Type: Protein

Associated Items:

Bioactivity Summary Target Summary Assay Summary
This compound is not in our inventory system

Names and Identifiers

Canonical SMILES:  CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)CSSC[C@@H](C(=O)O)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C)C(=O)N2)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)NC1=O

Standard InChI:  InChI=1S/C151H222N44O40S6/c1-13-74(6)117-143(230)172-77(9)121(208)167-64-112(201)174-97(48-50-115(204)205)130(217)176-93(31-22-52-163-149(156)157)128(215)175-94(32-23-53-164-150(158)159)129(216)181-99(58-82-35-41-86(197)42-36-82)126(213)169-66-114(203)191-120(80(12)196)145(232)189-108-71-239-236-68-105-137(224)177-95(33-24-54-165-151(160)161)131(218)194-119(76(8)15-3)146(233)195-55-25-34-110(195)142(229)171-79(11)123(210)185-107(140(227)192-117)70-238-237-69-106(139(226)190-109(147(234)235)72-241-240-67-104(186-124(211)90(152)62-116(206)207)138(225)182-101(136(223)187-105)59-83-37-43-87(198)44-38-83)188-135(222)100(57-81-26-17-16-18-27-81)179-122(209)78(10)170-132(219)103(61-85-63-166-91-29-20-19-28-89(85)91)183-133(220)98(56-73(4)5)180-127(214)92(30-21-51-162-148(154)155)173-113(202)65-168-125(212)96(47-49-111(153)200)178-134(221)102(60-84-39-45-88(199)46-40-84)184-144(231)118(75(7)14-2)193-141(108)228/h16-20,26-29,35-46,63,73-80,90,92-110,117-120,166,196-199H,13-15,21-25,30-34,47-62,64-72,152H2,1-12H3,(H2,153,200)(H,167,208)(H,168,212)(H,169,213)(H,170,219)(H,171,229)(H,172,230)(H,173,202)(H,174,201)(H,175,215)(H,176,217)(H,177,224)(H,178,221)(H,179,209)(H,180,214)(H,181,216)(H,182,225)(H,183,220)(H,184,231)(H,185,210)(H,186,211)(H,187,223)(H,188,222)(H,189,232)(H,190,226)(H,191,203)(H,192,227)(H,193,228)(H,194,218)(H,204,205)(H,206,207)(H,234,235)(H4,154,155,162)(H4,156,157,163)(H4,158,159,164)(H4,160,161,165)/t74-,75-,76-,77-,78-,79-,80+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,117-,118-,119-,120-/m0/s1

Standard InChI Key:  GLCFDMVVSSMZRL-BRKZGERCSA-N

Molfile:  

     RDKit          2D

250259  0  0  0  0  0  0  0  0999 V2000
   14.8219   -6.8775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5314   -6.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2493   -7.6906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2511   -6.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5229   -5.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2319   -5.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2319   -4.3954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9473   -5.6221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9507   -6.4492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6759   -6.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3744   -5.6166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3790   -6.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6723   -7.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8293   -8.6238    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.0945   -6.8499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8070   -6.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5319   -7.6520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5273   -6.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8023   -5.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5025   -4.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5179   -5.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2274   -5.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9391   -5.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9365   -4.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2250   -3.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6452   -3.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2401   -6.4080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.9495   -6.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6577   -5.5739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6623   -6.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9541   -8.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4967   -3.9193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.4895   -3.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7797   -2.6857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.2036   -2.6817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.3827   -6.8137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.0900   -6.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8094   -7.6287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.8048   -6.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0854   -5.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7955   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7909   -4.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5176   -6.3847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.2965   -6.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8510   -7.4363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9269   -6.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4257   -5.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1956   -4.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7846   -4.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0146   -5.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6764   -6.2719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4104   -6.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7359   -7.8737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.4379   -7.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1366   -6.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9342   -5.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8341   -5.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1569   -7.8219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.1887   -8.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6193   -8.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.4902   -9.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9227   -9.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9406   -9.8665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.6691  -10.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9887  -11.5045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.6896  -11.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8424  -10.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6583  -11.6161    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.4210  -11.4725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4415  -12.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8739  -12.2428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1718  -12.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7448  -12.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7670  -13.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0151  -12.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3184  -12.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1934  -13.4970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9216  -13.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2498  -15.1559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.6286  -13.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9499  -14.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6700  -15.1097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.7020  -15.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0020  -17.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.9947  -16.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2749  -15.9401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5727  -16.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8401  -15.1280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.8529  -15.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5716  -17.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8590  -17.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8767  -18.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1608  -18.8513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5966  -18.8416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.9689  -13.5228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.9512  -12.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6639  -12.2641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.2356  -12.2960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1348  -16.3847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.4266  -15.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7170  -17.2182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7140  -16.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4130  -15.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6932  -14.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6901  -13.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8800  -18.8992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.8894  -19.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6029  -20.1239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.1768  -20.1400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.0005  -15.9895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.2823  -16.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5490  -15.1794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.5624  -16.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2896  -17.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5790  -17.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5926  -18.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8561  -16.4222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.1308  -16.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4392  -17.2569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4298  -16.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1227  -15.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4061  -13.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4132  -14.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7097  -15.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9822  -14.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9791  -13.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6890  -13.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2600  -13.5732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7101  -16.0311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.0037  -16.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2808  -15.2242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2839  -16.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5721  -16.4650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.8576  -16.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1531  -17.3048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1512  -16.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8490  -15.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1305  -14.8216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5555  -14.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4315  -16.0685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.7196  -16.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9904  -15.2659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0040  -16.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7269  -12.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2549  -11.1376    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.2989  -16.5080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5790  -16.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8744  -17.3478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8672  -16.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5684  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8442  -14.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2822  -14.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2687  -14.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1452  -16.1220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4326  -16.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7172  -15.3088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7190  -16.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4483  -17.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7491  -18.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7356  -17.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0130  -17.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3095  -17.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3125  -18.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0350  -19.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6062  -19.0341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0072  -16.5559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2927  -16.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5895  -17.3895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5822  -16.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2855  -15.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5698  -14.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5598  -14.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8522  -13.6872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2700  -13.6823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8786  -16.1642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1715  -16.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282  -15.3517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4393  -16.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5680  -13.7383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5539  -12.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2751  -12.4924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8435  -12.5089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7358  -16.5881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0249  -16.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3185  -17.4281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3103  -16.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0142  -15.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2931  -14.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2918  -14.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5874  -16.2008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8828  -16.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1532  -15.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1726  -16.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8857  -17.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1851  -17.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1822  -18.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4660  -17.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4458  -16.6534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7249  -16.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0352  -17.4852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0272  -16.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7290  -15.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2606  -15.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0172  -15.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7017  -14.7474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9269  -14.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1020  -14.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8461  -13.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3835  -12.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2002  -12.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4657  -13.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3168  -16.2505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5956  -16.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8718  -15.4457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6166  -17.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8798  -16.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1714  -16.6855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5396  -16.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2464  -17.5325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2426  -16.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5425  -15.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6300  -14.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1867  -14.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6175  -14.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2437  -13.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5858  -13.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0143  -13.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9795  -16.2976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6826  -16.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3987  -15.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3971  -16.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7362  -12.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6052  -11.6136    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1138  -16.7269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8332  -16.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5212  -17.5731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5305  -16.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7715  -13.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8510  -11.4702    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2581  -16.3356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2421   -9.6523    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.4395  -15.5914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.5601  -11.8131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1961  -15.8461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7038  -15.4919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7196  -15.5509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.0012  -10.9998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.2801   -7.1040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.5213   -5.4586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0831   -7.3204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  9  1  0
 12 15  1  0
 18 27  1  0
 30 36  1  0
 39 43  1  0
 46 51  1  0
 54 58  1  0
 62 63  1  0
 66 69  1  0
 72 77  1  0
 81 82  1  0
 85 86  1  0
 89 99  1  0
102110  1  0
113117  1  0
120129  1  0
132133  1  0
136140  1  0
143146  1  0
149154  1  0
157166  1  0
169175  1  0
178183  1  0
186190  1  0
193198  1  0
201212  1  0
216217  1  0
220228  1  0
231234  1  0
237240  1  0
  2  1  1  1
  2  4  1  0
  4  3  2  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
 10  9  1  6
 10 12  1  0
 12 11  2  0
 10 13  1  0
 13 14  1  0
 15 16  1  0
 16 18  1  0
 18 17  2  0
 16 19  1  1
 19 21  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 24 26  1  0
 27 28  1  0
 28 30  1  0
 30 29  2  0
 28 31  1  0
 31241  1  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 36 37  1  0
 37 39  1  0
 39 38  2  0
 37 40  1  1
 40 41  1  0
 41 42  1  0
 42 32  1  0
 44 43  1  0
 44 46  1  0
 46 45  2  0
 44 47  1  0
 47 48  1  6
 47 49  1  0
 49 50  1  0
 51 52  1  0
 52 54  1  0
 54 53  2  0
 52 55  1  0
 56 57  1  0
 57 55  1  0
 56 51  1  0
 58 59  1  0
 59 62  1  0
 62 60  2  0
 59 61  1  6
 64 63  1  0
 64 66  1  0
 66 65  2  0
 64 67  1  0
 67 68  1  0
 69 70  1  0
 70 72  1  0
 72 71  2  0
 70 73  1  0
 73 74  1  1
 73 75  1  0
 75 76  1  0
 77 78  1  0
 78 81  1  0
 81 79  2  0
 78 80  1  1
 82 83  1  0
 83 85  1  0
 85 84  2  0
 86 87  1  0
 87 89  1  0
 89 88  2  0
 87 90  1  1
 90 91  1  0
 91 92  1  0
 92 93  2  0
 92 94  1  0
 95 96  1  0
 96 97  1  0
 96 98  2  0
 99100  1  0
100102  1  0
102101  2  0
100103  1  6
103104  1  0
104105  1  0
105 95  1  0
106107  1  0
107108  1  0
107109  2  0
110111  1  0
111113  1  0
113112  2  0
111114  1  1
114115  1  0
115116  1  0
116106  1  0
117118  1  0
118120  1  0
120119  2  0
118121  1  6
121123  1  0
122123  2  0
123124  1  0
124125  2  0
125126  1  0
126127  2  0
127122  1  0
126128  1  0
129130  1  0
130132  1  0
132131  2  0
134133  1  0
134136  1  0
136135  2  0
134137  1  0
137138  1  6
137139  1  0
141140  1  0
141143  1  0
143142  2  0
141144  1  0
144145  1  0
146147  1  0
147149  1  0
149148  2  0
147150  1  0
150151  1  1
150152  1  0
152153  1  0
154155  1  0
155157  1  0
157156  2  0
155158  1  1
158160  1  0
159160  2  0
160161  1  0
161162  2  0
162163  1  0
163164  2  0
164159  1  0
163165  1  0
166167  1  0
167169  1  0
169168  2  0
167170  1  6
170171  1  0
171172  1  0
172173  2  0
172174  1  0
175176  1  0
176178  1  0
178177  2  0
179180  1  0
180181  1  0
180182  2  0
183184  1  0
184186  1  0
186185  2  0
184187  1  6
187188  1  0
188189  1  0
189179  1  0
190191  1  0
191193  1  0
193192  2  0
191194  1  1
194195  1  0
195196  1  0
195197  1  0
198199  1  0
199201  1  0
201200  2  0
199202  1  6
202204  1  0
203204  2  0
204206  1  0
205203  1  0
207205  1  0
206207  2  0
207208  1  0
208209  2  0
209210  1  0
210211  2  0
211206  1  0
212213  1  0
213216  1  0
216214  2  0
213215  1  1
217218  1  0
218220  1  0
220219  2  0
218221  1  6
221223  1  0
222223  2  0
223224  1  0
224225  2  0
225226  1  0
226227  2  0
227222  1  0
229228  1  0
229231  1  0
231230  2  0
229232  1  0
232233  1  0
234235  1  0
235237  1  6
237236  2  0
235238  1  0
238239  1  0
239 14  1  0
145241  1  0
233 68  1  0
147242  1  1
 70243  1  1
229244  1  1
141245  1  1
134246  1  1
 64247  1  1
 52248  1  6
 44249  1  6
 28250  1  1
M  END

Alternative Forms

Associated Targets(non-human)

Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
[Haemophilus] ducreyi (49 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: ProteinTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 3486.11Molecular Weight (Monoisotopic): 3483.5014AlogP: ┄#Rotatable Bonds: ┄
Polar Surface Area: ┄Molecular Species: ┄HBA: ┄HBD: ┄
#RO5 Violations: ┄HBA (Lipinski): ┄HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄CX Basic pKa: ┄CX LogP: ┄CX LogD: ┄
Aromatic Rings: ┄Heavy Atoms: ┄QED Weighted: ┄Np Likeness Score: ┄

References

1. Mount KL, Townsend CA, Bauer ME..  (2007)  Haemophilus ducreyi is resistant to human antimicrobial peptides.,  51  (9): [PMID:17620373] [10.1128/aac.00473-07]

Source

Source(1):

🔙[Back to Compounds]
Privacy Policy Website Terms of Use Return policy Terms and Conditions of Sale Cookie Policy Sales Policy
Products are chemical reagents for research use only and are not intended for human use. We do not sell to patients.
Copyright © 2023-present Aladdin Scientific Corp . All rights reserved.