(7S,19S,22S,25S,28S,31S,34S,37S)-31-((1H-imidazol-5-yl)methyl)-37-((2S,5S,8S,11S)-14-amino-5-(3-guanidinopropyl)-11-(hydroxymethyl)-2,8-dimethyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradecanamido)-22-(4-aminobutyl)-7-carbamoyl-1-(2-carboxy-6-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl)-25-(3-guanidinopropyl)-19-(hydroxymethyl)-28-isobutyl-34-isopropyl-1,9,12,15,18,21,24,27,30,33,36-undecaoxo-2,8,11,14,17,20,23,26,29,32,35-undecaazatetracontan-40-oic acid

ID: ALA1082287

Max Phase: Preclinical

Molecular Formula: C89H129N27O27

Molecular Weight: 2009.17

Molecule Type: Small molecule

This compound is available for customization.

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: CC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)c1c(C(=O)O)cccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(N)=O)C(C)C

Standard InChI: InChI=1S/C89H129N27O27/c1-43(2)31-60(113-83(137)61(32-48-35-96-42-104-48)114-86(140)73(44(3)4)116-81(135)59(25-26-70(126)127)110-76(130)45(5)105-78(132)57(19-13-29-98-88(92)93)109-75(129)46(6)106-84(138)63(41-118)108-68(124)38-100-47(7)119)82(136)112-58(20-14-30-99-89(94)95)79(133)111-56(18-8-10-27-90)80(134)115-62(40-117)77(131)103-37-67(123)101-36-66(122)102-39-69(125)107-55(74(91)128)17-9-11-28-97-85(139)72-53(15-12-16-54(72)87(141)142)71-51-23-21-49(120)33-64(51)143-65-34-50(121)22-24-52(65)71/h12,15-16,21-24,33-35,42-46,55-63,73,117-118,120H,8-11,13-14,17-20,25-32,36-41,90H2,1-7H3,(H2,91,128)(H,96,104)(H,97,139)(H,100,119)(H,101,123)(H,102,122)(H,103,131)(H,105,132)(H,106,138)(H,107,125)(H,108,124)(H,109,129)(H,110,130)(H,111,133)(H,112,136)(H,113,137)(H,114,140)(H,115,134)(H,116,135)(H,126,127)(H,141,142)(H4,92,93,98)(H4,94,95,99)/t45-,46-,55-,56-,57-,58-,59-,60-,61-,62-,63-,73-/m0/s1

Standard InChI Key: UHBFDUIAGURJOH-FFCVXIFFSA-N

Molfile:

     RDKit          2D

143147  0  0  0  0  0  0  0  0999 V2000
   22.1122   -1.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9324   -1.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4177   -1.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7789   -1.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2755   -0.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0935   -0.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5821    0.1974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9475    0.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4413    1.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2624    0.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7498    1.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4279    2.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6107    2.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1154    1.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2602   -2.6202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9206    0.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8819    1.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1428    1.9071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4501    1.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5015    0.6259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2395    0.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2884   -0.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0042   -0.9830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8143    0.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8600   -0.6490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0320   -4.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3145   -3.4733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3145   -4.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8842   -4.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1750   -5.5108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1750   -4.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8842   -3.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7441   -4.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0266   -3.4591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7441   -5.5216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0266   -4.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1667   -0.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5975   -4.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8800   -5.5036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8800   -4.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5975   -3.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8800   -3.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8800   -2.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4484   -4.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7325   -3.4564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4484   -5.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7325   -4.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3036   -4.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5878   -5.5072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5878   -4.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3036   -3.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5878   -3.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5878   -2.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8761   -1.7947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1592   -4.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4433   -3.4501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4433   -4.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1592   -5.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4433   -5.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8751   -5.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9853   -4.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7012   -5.5143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7012   -4.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9853   -3.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5897   -2.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0064   -2.7601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4364   -3.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7012   -3.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1263   -4.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8380   -3.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8380   -4.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1263   -5.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8380   -5.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8380   -6.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5538   -5.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6800   -0.9850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2678   -4.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9836   -5.5154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9836   -4.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2678   -3.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9836   -3.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9836   -2.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4126   -4.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1285   -3.4664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1285   -4.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4126   -5.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1285   -5.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1285   -6.7664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8402   -7.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5579   -4.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2738   -5.5181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2738   -4.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5579   -3.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7024   -4.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4182   -4.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4182   -3.4627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8478   -4.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5637   -4.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5637   -5.5199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -4.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7076   -4.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7076   -3.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1367   -4.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8484   -4.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1367   -3.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8484   -3.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8484   -2.2235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8484   -5.5235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5642   -1.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5757   -0.9861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.9422    3.0393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0805    0.5470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5920   -4.6953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1499   -3.0334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4502   -4.2774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1625   -1.7934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8571   -0.5524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4289   -0.5554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3047   -4.6872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1661   -4.2746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0147   -4.6880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2911   -1.7947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8719   -4.2721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2705   -4.6888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7842   -2.2185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4190   -4.2827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7020   -1.8097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9902   -0.5707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4178   -0.5707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5578   -4.6981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7020   -4.2847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8568   -8.0039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8463   -4.6980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2873   -3.0425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9902   -4.2838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1345   -4.6970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2785   -4.2829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4219   -4.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.5642   -4.2860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7429   -4.2977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4614   -4.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1723   -4.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4607   -5.5346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 29 31  1  0
 31 30  2  0
 29 32  1  1
 33 36  1  0
 36 34  2  0
 33 35  1  6
 38 40  1  0
 40 39  2  0
 38 41  1  1
 41 42  1  0
 42 43  1  0
 44 47  1  0
 47 45  2  0
 44 46  1  6
 48 50  1  0
 50 49  2  0
 48 51  1  1
 51 52  1  0
 52 53  1  0
 53 54  2  0
 55 57  1  0
 57 56  2  0
 55 58  1  6
 58 59  1  0
 58 60  1  0
 61 63  1  0
 63 62  2  0
 61 64  1  1
 64 68  1  0
 65 66  2  0
 66 67  1  0
 67 68  2  0
 69 71  1  0
 71 70  2  0
 69 72  1  6
 72 73  1  0
 73 74  1  0
 73 75  1  0
 77 79  1  0
 79 78  2  0
 77 80  1  1
 80 81  1  0
 81 82  1  0
 83 85  1  0
 85 84  2  0
 83 86  1  6
 86 87  1  0
 87 88  1  0
 88 89  1  0
 90 92  1  0
 92 91  2  0
 90 93  1  1
 94 95  1  0
 95 96  2  0
 97 98  1  0
 98 99  2  0
100101  1  0
101102  2  0
103104  1  0
103105  1  0
105106  1  0
106107  1  0
104108  2  0
107109  1  0
  1  2  1  0
  1  4  2  0
  2  3  1  0
  3  6  2  0
  5  4  1  0
  5  6  1  0
  5  8  2  0
  6  7  1  0
  7 10  1  0
  9  8  1  0
  9 10  2  0
  9 14  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  2 15  2  0
  8 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 21 22  1  0
 22 23  2  0
 20 24  1  0
125 65  1  0
 68125  1  0
 37117  1  0
 63126  1  0
126 69  1  0
 28113  1  0
113 29  1  0
127 76  1  0
 82127  1  0
 37118  2  0
 76128  1  0
 12111  1  0
 76129  2  0
 36119  1  0
119 38  1  0
 71130  1  0
130 77  1  0
 32114  1  0
 79131  1  0
131 83  1  0
 40120  1  0
120 44  1  0
 89132  1  0
109110  1  0
110 22  1  0
 85133  1  0
133 90  1  0
 47121  1  0
121 48  1  0
 93134  1  0
 31115  1  0
115 33  1  0
 92135  1  0
135 94  1  0
 53122  1  0
 24112  1  0
 95136  1  0
136 97  1  0
 50123  1  0
123 55  1  0
 98137  1  0
137100  1  0
116 37  1  0
 43116  1  0
101138  1  0
103138  1  1
 57124  1  0
124 61  1  0
104139  1  0
 26140  1  0
 24 25  2  0
140141  1  0
 26 28  1  0
141142  1  0
 28 27  2  0
141143  2  0
M  END

Natural Product: No	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Small molecule	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 2009.17	Molecular Weight (Monoisotopic): 2007.9551	AlogP: ┄	#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. Karatas H, Townsend EC, Bernard D, Dou Y, Wang S.. (2010) Analysis of the binding of mixed lineage leukemia 1 (MLL1) and histone 3 peptides to WD repeat domain 5 (WDR5) for the design of inhibitors of the MLL1-WDR5 interaction., 53 (14): [PMID:20575550] [10.1021/jm100139b]
2. Karatas, Hacer H, Townsend, Elizabeth C EC, Bernard, Denzil D, Dou, Yali Y and Wang, Shaomeng S. 2010-07-22 Analysis of the binding of mixed lineage leukemia 1 (MLL1) and histone 3 peptides to WD repeat domain 5 (WDR5) for the design of inhibitors of the MLL1-WDR5 interaction. [PMID:20575550]
3. Bolshan, Yuri Y and 16 more authors. 2013-03-14 Synthesis, Optimization, and Evaluation of Novel Small Molecules as Antagonists of WDR5-MLL Interaction. [PMID:24900672]
4. Getlik, Matthäus M and 17 more authors. 2016-03-24 Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1). [PMID:26958703]
5. Li, Dong-Dong DD and 9 more authors. 2016-08-08 Structure-based design and synthesis of small molecular inhibitors disturbing the interaction of MLL1-WDR5. [PMID:27116709]
6. Li, Dong-Dong DD and 8 more authors. 2016-11-29 High-affinity small molecular blockers of mixed lineage leukemia 1 (MLL1)-WDR5 interaction inhibit MLL1 complex H3K4 methyltransferase activity. [PMID:27598236]
7. Li, Dong-Dong DD and 5 more authors. 2016-11-15 Structure-based design of ester compounds to inhibit MLL complex catalytic activity by targeting mixed lineage leukemia 1 (MLL1)-WDR5 interaction. [PMID:27720555]
8. Wang, Feng F and 17 more authors. 2018-07-12 Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design. [PMID:29889518]
9. Ye, Xiaoqing X and 11 more authors. 2019-02-15 The identification of novel small-molecule inhibitors targeting WDR5-MLL1 interaction through fluorescence polarization based high-throughput screening. [PMID:30626558]
10. Tian, Jianhua and 24 more authors. 2020-01-23 Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core. [PMID:31858797]
11. Chacón Simon, Selena and 14 more authors. 2020-04-23 Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. [PMID:32223236]

Names and Identifiers

Alternative Forms

Associated Targets(Human)

Molecule Features

Drug Indications

Mechanisms of Action

Biocomponents

Calculated Properties

References

Source