ID: ALA3570
Type: SINGLE PROTEIN
Synonyms: Neurotensin receptor type 1 | NT-R-1 | NTR1 | Ntsr | Ntsr1
Organism: Mus musculus
Species Group: Mus musculus
Protein Target Classification: Membrane receptor / Family A G protein-coupled receptor / Peptide receptor (family A GPCR) / Short peptide receptor (family A GPCR) / Neurotensin receptor
Description | Relationship | Accession |
---|---|---|
Neurotensin receptor type 1 | PROTEIN | O88319 |
Name:
(S)-2-{(S)-2-[(S)-2-({(R)-1-[6-Amino-2-(4-amino-butyl)-hexanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(1H-indol-3-yl)-propionylamino]-3,3-dimethyl-butyrylamino}-4-methyl-pentanoic acid
Mol. Formula:
C38H61N7O6
M.W.:
711.95
Type:
Small molecule
AlogP:
3.21
Polar Surface Area:
212.74
HBA:
7
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.10
Name:
2-{(R)-(S)-2-[(S)-2-({(S)-1-[(S)-6-Amino-2-((S)-5-guanidino-2-methylamino-pentanoylamino)-hexanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(1H-indol-3-yl)-propionylamino]-3,3-dimethyl-butyrylamino}-4-methyl-pentanoic acid
Mol. Formula:
C41H67N11O7
M.W.:
826.06
Type:
Protein
AlogP:
0.80
Polar Surface Area:
289.75
HBA:
9
HBD:
11
#RO5 Violations:
2
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.04
Name:
(S)-2-{(S)-2-[(S)-2-({(R)-1-[(S)-6-Amino-2-((S)-2-amino-5-guanidino-pentylamino)-hexanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(1H-indol-3-yl)-propionylamino]-3,3-dimethyl-butyrylamino}-4-methyl-pentanoic acid ethyl ester
Mol. Formula:
C42H71N11O6
M.W.:
826.10
Type:
Protein
AlogP:
1.28
Polar Surface Area:
278.17
HBA:
10
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
24
Passes Ro3:
N
QED Weighted:
0.03
Name:
(S)-2-{(S)-2-[(S)-2-({(R)-1-[(S)-6-Amino-2-((S)-2,6-diamino-hexylamino)-hexanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(1H-indol-3-yl)-propionylamino]-3,3-dimethyl-butyrylamino}-4-methyl-pentanoic acid ethyl ester
Mol. Formula:
C42H71N9O6
M.W.:
798.09
Type:
Protein
AlogP:
2.35
Polar Surface Area:
239.79
HBA:
10
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
24
Passes Ro3:
N
QED Weighted:
0.06
Name:
(S)-2-{(S)-2-[(S)-2-{[(S)-1-((S)-2,6-Diamino-hexanoyl)-pyrrolidine-2-carbonyl]-amino}-3-(1H-indol-3-yl)-propionylamino]-3,3-dimethyl-butyrylamino}-4-methyl-pentanoic acid
Mol. Formula:
C34H53N7O6
M.W.:
655.84
Type:
Protein
AlogP:
1.79
Polar Surface Area:
212.74
HBA:
7
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.13
Name:
(S)-2-{(S)-2-[(S)-2-({(R)-1-[5-Guanidino-2-(3-guanidino-propyl)-pentanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(1H-indol-3-yl)-propionylamino]-3,3-dimethyl-butyrylamino}-4-methyl-pentanoic acid
Mol. Formula:
C38H61N11O6
M.W.:
767.98
Type:
Small molecule
AlogP:
1.06
Polar Surface Area:
289.50
HBA:
7
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.05
Name:
2-{2-[(S)-2-({1-[(S)-6-Amino-2-((S)-(S)-2,6-diamino-hexylamino)-hexanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(1H-indol-3-yl)-1-(S)-oxo-propylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid
Mol. Formula:
C40H67N9O6
M.W.:
770.03
Type:
Protein
AlogP:
1.88
Polar Surface Area:
250.79
HBA:
9
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
25
Passes Ro3:
N
QED Weighted:
0.07
Name:
(S)-2-{(S)-2-[(S)-2-({(R)-1-[(S)-6-Amino-2-(6-amino-hexylamino)-hexanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(1H-indol-3-yl)-propionylamino]-3,3-dimethyl-butyrylamino}-4-methyl-pentanoic acid ethyl ester
Mol. Formula:
C42H70N8O6
M.W.:
783.07
Type:
Protein
AlogP:
3.42
Polar Surface Area:
213.77
HBA:
9
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
24
Passes Ro3:
N
QED Weighted:
0.06
Name:
(S)-2-{(S)-2-[(S)-2-({(R)-1-[5-Amino-2-(3-amino-propyl)-pentanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(1H-indol-3-yl)-propionylamino]-3,3-dimethyl-butyrylamino}-4-methyl-pentanoic acid
Mol. Formula:
C36H57N7O6
M.W.:
683.89
Type:
Small molecule
AlogP:
2.43
Polar Surface Area:
212.74
HBA:
7
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.12
Name:
(1S,2S,4S)-2-{2-[(S)-2-({1-[6-Amino-2-(2,6-diamino-hexylamino)-hexanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(4-hydroxy-phenyl)-1-(S)-oxo-propylamino]-3,3-dimethyl-butyrylamino}-4-methyl-pentanoic acid
Mol. Formula:
C38H66N8O7
M.W.:
746.99
Type:
Protein
AlogP:
1.10
Polar Surface Area:
255.23
HBA:
10
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.07