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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02660765

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A1C8L0.83
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A2AMV0.83
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A3AMV0.83
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid
A3FR40.73
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
C2JQ70.7
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
B1OLN0.7
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
A1E9W0.7
HR1(3R,5R)-7-[1-(4-FLUOROPHENYL)-3-
ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-
3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-
3,5-DIHYDROXYHEPTANOIC ACID
A,B,C,D2Q6C0.7
6691-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)-
1H-INDOLE-2-CARBOXYLIC ACID
A1MZS0.7
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID
A,B,C,D1H9U0.72
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID
A1DCY0.73
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid
A3FR50.74
225FELODIPINEA2NNJ0.75
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.77
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.77
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.77
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.77
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.77
PQQPYRROLOQUINOLINE QUINONEA1KV90.77
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.77
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.77
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.77
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.77
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.77
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.77
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.77
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.77
PQQPYRROLOQUINOLINE QUINONEA1KB00.77
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.77
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.77
PQQPYRROLOQUINOLINE QUINONEA,C1G720.77
NTMQUINOLINIC ACIDA3C2O0.71
NTMQUINOLINIC ACIDA,B1QAP0.71
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.71
NTMQUINOLINIC ACIDA,B,C2B7N0.71
DPYA,B1JES0.71
6IN4-(1-BENZYL-3-CARBAMOYLMETHYL-2-
METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID
A1DB50.71
3405-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-
4,7-DIONE
A,B,C,D1KBO0.76
E093-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL-
2-[1H-INDOLE-4,7-DIONE]-PROPANOL
A,B,C,D1GG50.74
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID
A2BRL0.71
V25ethyl 3-[(E)-2-amino-1-cyanoethenyl]-
6,7-dichloro-1-methyl-1H-indole-
2-carboxylate
A2VAG0.72
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,F2Q7R0.74
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID
A2BRK0.73
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER
B1LPK0.77
9365-METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL)INDOLE-
4,7-DIONE
A,B,C,D1KBQ0.72
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGF0.71
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGG0.71
MOCCARBAMIC ACID 2,6-DIAMINO-5-METHYL-
4,7-DIOXO-2,3,4,7-TETRAHYDRO-1H-
3A-AZA-CYCLOPENTA[A]INDEN-8-YLMETHYL ESTER
A199D0.72
ARH3-(HYDROXYMETHYL)-1-METHYL-5-(2-
METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-
INDOLE-4,7-DIONE
A,B,C,D1H690.78
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE
C,O2V110.73
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid
A3FR20.74