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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02378002

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.75
1167-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-
2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5-
DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWJ0.7
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.74
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid		A3FR40.73
QNDQUINALDIC ACIDA,B1IDA0.82
QNC2-CARBONYLQUINOLINEA,B1MTB0.73
QNC2-CARBONYLQUINOLINEA,B2FGV0.73
QNC2-CARBONYLQUINOLINEI1IVQ0.73
QNC2-CARBONYLQUINOLINEA,B2FGU0.73
QNC2-CARBONYLQUINOLINEA1JLD0.73
QNC2-CARBONYLQUINOLINEA,B1HXB0.73
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGF0.73
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGG0.73
6691-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)-
1H-INDOLE-2-CARBOXYLIC ACID		A1MZS0.7
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		C2JQ70.72
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		B1OLN0.72
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		A1E9W0.72
IMNINDOMETHACINA2BXM0.7
IMNINDOMETHACINA3FO70.7
IMNINDOMETHACINA,B,C,D1Z9H0.7
IMNINDOMETHACINA2BXQ0.7
IMNINDOMETHACINA,B,C,D4COX0.7
IMNINDOMETHACINA2ALT0.7
IMNINDOMETHACINA2OTH0.7
IMNINDOMETHACINA,B2DM60.7
IMNINDOMETHACINA1S2A0.7
IMNINDOMETHACINA2ZB80.7
IMNINDOMETHACINA3HWZ0.7
IMNINDOMETHACINA2BXK0.7
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER		B1LPK0.79
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE		C,O2V110.71
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.74
225FELODIPINEA2NNJ0.75
BRFA1UUO0.74
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.73
DPYA,B1JES0.76
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.72
238A2PRH0.7
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID		A,F1LEV0.71
DRC9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-
4-ACRIDINECARBOXAMIDE		A1KCI0.7
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.76
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.71
V25ethyl 3-[(E)-2-amino-1-cyanoethenyl]-
6,7-dichloro-1-methyl-1H-indole-
2-carboxylate		A2VAG0.7
3CS3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4-
IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-
1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID		A,B,C,D,E,F2Q7R0.73
DK15,7-DICHLORO-4-HYDROXYQUINOLINE-
2-CARBOXYLIC ACID		A,B1PBQ0.71
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID		A1D3G0.74
IQA(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-
7-YL)-ACETIC ACID		A1OM10.72
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.71
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.75
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE		A1ZLR0.71
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A1C8L0.73
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A2AMV0.73
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A3AMV0.73
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.72
NTMQUINOLINIC ACIDA3C2O0.72
NTMQUINOLINIC ACIDA,B1QAP0.72
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.72
NTMQUINOLINIC ACIDA,B,C2B7N0.72
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PC20.7
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B,C,D1ARZ0.7
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PE70.7
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PES0.7
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1C3V0.7
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1P9L0.7
D1GN,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDU0.7
MR62-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLEA,B2QGE0.71
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.74
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.76
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.76
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.76
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.76
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.76
PQQPYRROLOQUINOLINE QUINONEA1KV90.76
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.76
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.76
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.76
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.76
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.76
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.76
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.76
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.76
PQQPYRROLOQUINOLINE QUINONEA1KB00.76
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.76
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.76
PQQPYRROLOQUINOLINE QUINONEA,C1G720.76
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.72
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID		A1DCY0.71