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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02372290

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.75
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B3GZC0.72
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A2GJ40.72
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A2GM90.72
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B2IEG0.72
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B2IEI0.72
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B,C,D,E,F3FZ80.72
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B,C,D,E,F1PMO0.72
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B,C,D,E,F3FSL0.72
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A2CFB0.72
PLR(5-HYDROXY-4,6-DIMETHYLPYRIDIN-
3-YL)METHYL DIHYDROGEN PHOSPHATE
A,B,C,D3GZD0.72
ASEN-ACETYL SEROTONINA1NAS0.71
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL
A1RFT0.72
PXM4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-
2-METHYLPYRIDIN-3-OL
A,B2Z9V0.72
CQA4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-
2-[(DIETHYLAMINO)METHYL]PHENOL
A,B2AOU0.74
IHX3-[3-(4-methylpiperazin-1-yl)-7-
(trifluoromethyl)quinoxalin-5-yl]phenol
A,B3F660.7
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.81
QNDQUINALDIC ACIDA,B1IDA0.71
ELP(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID
A1M0P0.74
7722-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4H0.78
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2I0S0.7
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2HXC0.7
IOS3-SULFOOXY-1H-INDOLEA,B2BXH0.74
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.77
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.77
DEH2,9-dihydroxy-3,10-dimethoxy-5,6-
dihydroisoquino[3,2-a]isoquinolinium
A3GSY0.7
PBQPENTABROMOPSEUDILINA2JHR0.7
W37N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-
6-YL]OXY}HEXYL)-N-METHYLPROP-2-
EN-1-AMINE
A,B,C1O6H0.76
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.77
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.77
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.77
3ID3H-INDOLE-5,6-DIOLA1F9B0.72
3ID3H-INDOLE-5,6-DIOLA1OYO0.72
PXPPYRIDOXINE-5'-PHOSPHATEA,B,C,D1HO40.7
PXPPYRIDOXINE-5'-PHOSPHATEA,B,C,D,E,F,
G,H
3F4N0.7
PXPPYRIDOXINE-5'-PHOSPHATEA,B,C,D1SZR0.7
0AF7-hydroxy-L-tryptophanL1MAE0.72
0AF7-hydroxy-L-tryptophanL1MAF0.72
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.81
SROSEROTONINA,B3BRN0.74
SROSEROTONINA2QEH0.74