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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02347138

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2052-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-
6-CARBOXYLIC ACID
A,B2F8I0.72
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1I430.74
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.78
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.8
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.74
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.74
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.74
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.74
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.74
PQQPYRROLOQUINOLINE QUINONEA1KV90.74
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.74
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.74
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.74
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.74
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.74
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.74
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.74
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.74
PQQPYRROLOQUINOLINE QUINONEA1KB00.74
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.74
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.74
PQQPYRROLOQUINOLINE QUINONEA,C1G720.74
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID
A,B,C,D1H9U0.7
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.71
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.71
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.71
6691-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)-
1H-INDOLE-2-CARBOXYLIC ACID
A1MZS0.72
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PC20.82
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B,C,D1ARZ0.82
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PE70.82
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PES0.82
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1C3V0.82
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1P9L0.82
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.75
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.75
2CC3,4-bis(7-chloro-1H-indol-3-yl)-
1H-pyrrole-2,5-dicarboxylic acid
A3A1L0.71
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.84
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.71
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.71
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.71
QNC2-CARBONYLQUINOLINEA,B1MTB0.78
QNC2-CARBONYLQUINOLINEA,B2FGV0.78
QNC2-CARBONYLQUINOLINEI1IVQ0.78
QNC2-CARBONYLQUINOLINEA,B2FGU0.78
QNC2-CARBONYLQUINOLINEA1JLD0.78
QNC2-CARBONYLQUINOLINEA,B1HXB0.78
NZA5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-
1H-INDOLE-2-CARBOXYLIC ACID
A,B2Q5S0.75
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.72
DK15,7-DICHLORO-4-HYDROXYQUINOLINE-
2-CARBOXYLIC ACID
A,B1PBQ0.89
A465-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-
1H-indole-2-carboxamide
A,B2ZB20.73
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid
A3FR40.7
MTKMONTELUKASTA2NNI0.75
QNDQUINALDIC ACIDA,B1IDA0.94
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID
A2BRK0.71
BRFA1UUO0.8
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A,B2QYN0.73
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A,B2QYK0.73
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A2QYL0.73
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A1C8L0.74
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A2AMV0.74
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A3AMV0.74
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID
A1Z8N0.73
NTMQUINOLINIC ACIDA3C2O0.74
NTMQUINOLINIC ACIDA,B1QAP0.74
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.74
NTMQUINOLINIC ACIDA,B,C2B7N0.74
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID
A2BRL0.71
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2HBT0.77
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2HBU0.77
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.76
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.76
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.76
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.76
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid
A3FR20.72
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID
A,F1LEV0.79
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
C2JQ70.79
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
B1OLN0.79
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
A1E9W0.79
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid
A3FR50.71
SF11-BENZYL-5-CHLORO-3-(PHENYLTHIO)-
1H-INDOLE-2-CARBOXYLIC ACID
A,B2Q610.75
DPYA,B1JES0.72
238A2PRH0.85
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.72
225FELODIPINEA2NNJ0.71