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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01074009

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
QUNQUINACRINEA,B1JQE0.7
SROSEROTONINA,B3BRN0.76
SROSEROTONINA2QEH0.76
KIN1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-
[3-(TRIFLUOROMETHYL)PHENYL]UREA
A2HZN0.71
ELP(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID
A1M0P0.72
IHX3-[3-(4-methylpiperazin-1-yl)-7-
(trifluoromethyl)quinoxalin-5-yl]phenol
A,B3F660.74
EI13-ETHYL-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL
A,B2QAB0.72
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.83
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.83
7PC2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]-
5-PYRIDIN-2-YLPHENOL
A,B2OP00.7
1242-(2-HYDROXY-PHENYL)-1H-INDOLE-
5-CARBOXAMIDINE
A1GI60.7
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1R5Y0.7
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1Q4W0.7
4HT4-HYDROXYTRYPTOPHANH,L1RU90.7
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.7
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.7
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.7
7NH[2'-HYDROXY-3'-(1H-PYRROLO[3,2-
C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-
UREA
H2FLR0.74
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.71
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.83
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.83
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.83
Q22(4aS)-5-[(2,4-diaminopteridin-6-
yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-
8-ol
A3D800.71
3B3(2S)-1-AMINO-3-[(5-NITROQUINOLIN-
8-YL)AMINO]PROPAN-2-OL
A2CGV0.74
FBQ1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-
3-YL)METHYL]THIO}METHYL)PHENYL]-
2,2,2-TRIFLUOROETHANE-1,1-DIOL
A1HBJ0.7
W37N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-
6-YL]OXY}HEXYL)-N-METHYLPROP-2-
EN-1-AMINE
A,B,C1O6H0.71
HFS1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINEE2ERZ0.7
HFS1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINEA,B2ETK0.7
RO01-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-
4-{[4-(2-METHOXYPHENYL)PIPERIDIN-
1-YL]METHYL}ISOQUINOLINE
A2FVJ0.71
GK14-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-
7-yl}-1,3-thiazole-2-carbaldehyde
A2ZAZ0.71
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.74
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A,B2QYN0.78
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A,B2QYK0.78
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A2QYL0.78
3ID3H-INDOLE-5,6-DIOLA1F9B0.73
3ID3H-INDOLE-5,6-DIOLA1OYO0.73
ASEN-ACETYL SEROTONINA1NAS0.74
DEH2,9-dihydroxy-3,10-dimethoxy-5,6-
dihydroisoquino[3,2-a]isoquinolinium
A3GSY0.75
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.72
CQA4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-
2-[(DIETHYLAMINO)METHYL]PHENOL
A,B2AOU0.83
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE
A1XH40.71
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE
A1XH90.71
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.87
7722-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4H0.71
IOS3-SULFOOXY-1H-INDOLEA,B2BXH0.7