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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02261191

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide		A,B,C3F070.71
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.73
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.73
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.73
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.73
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.75
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.75
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.75
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGF0.75
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGG0.75
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.74
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER		B1LPK0.71
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.72
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.72
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.72
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.72
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.72
3405-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-
4,7-DIONE		A,B,C,D1KBO0.7
NIONICOTINIC ACIDA1JHQ0.74
NIONICOTINIC ACIDA1L5L0.74
NIONICOTINIC ACIDA2F7F0.74
NIONICOTINIC ACIDA1L5K0.74
NIONICOTINIC ACIDA1JHY0.74
NIONICOTINIC ACIDA,B1FSL0.74
NIONICOTINIC ACIDA1L5M0.74
NIONICOTINIC ACIDA1LH60.74
NIONICOTINIC ACIDA1JHO0.74
NIONICOTINIC ACIDA3CI80.74
NIONICOTINIC ACIDA,B,C,D1ICU0.74
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H		3HRD0.74
NIONICOTINIC ACIDA1JHA0.74
NIONICOTINIC ACIDA1JHV0.74
NIONICOTINIC ACIDA1L4N0.74
NIONICOTINIC ACIDA2LH60.74
NIONICOTINIC ACIDA1D0V0.74
NIONICOTINIC ACIDA,B,C,D1ICV0.74
NIONICOTINIC ACIDA,B1ICR0.74
NIONICOTINIC ACIDA1JHR0.74
3HI(3R,5R)-7-[2-(4-fluorophenyl)-4-
[(2-hydroxyphenyl)carbamoyl]-5-
(1-methylethyl)-3-phenyl-1H-pyrrol-
1-yl]-3,5-dihydroxyheptanoic acid		B,C,D3CCT0.71
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.77
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.72
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID		A1DCY0.73
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE		A1B9V0.7
TRO2-HYDROXY-TRYPTOPHANA1KB00.71
TRO2-HYDROXY-TRYPTOPHANA1G3P0.71
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
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.75
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.75
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.75
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.75
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.75
PQQPYRROLOQUINOLINE QUINONEA1KV90.75
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.75
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.75
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.75
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.75
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.75
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.75
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.75
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.75
PQQPYRROLOQUINOLINE QUINONEA1KB00.75
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.75
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.75
PQQPYRROLOQUINOLINE QUINONEA,C1G720.75
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID		A1B9I0.7
PYU2-(1H-pyrrol-1-ylcarbonyl)benzene-
1,3,5-triol		A,B3EKO0.71
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.8
225FELODIPINEA2NNJ0.72
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE		A2D820.71
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		C2JQ70.73
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		B1OLN0.73
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		A1E9W0.73
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.77
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID		A,F1LEV0.73
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.78
BMSA,B1DKF0.7
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.75
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID		A1D3G0.76
NTMQUINOLINIC ACIDA3C2O0.76
NTMQUINOLINIC ACIDA,B1QAP0.76
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.76
NTMQUINOLINIC ACIDA,B,C2B7N0.76
7HI(3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-
2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-
1(4H)-yl]-3,5-dihydroxyheptanoic acid		A,B,C,D3CD50.73
E093-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL-
2-[1H-INDOLE-4,7-DIONE]-PROPANOL		A,B,C,D1GG50.76
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PC20.76
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B,C,D1ARZ0.76
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PE70.76
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PES0.76
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1C3V0.76
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1P9L0.76
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid		A3FR40.77
1177-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-
3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-
1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWK0.72
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A1C8L0.71
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A2AMV0.71
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A3AMV0.71
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID		A2BRL0.73
ARH3-(HYDROXYMETHYL)-1-METHYL-5-(2-
METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-
INDOLE-4,7-DIONE		A,B,C,D1H690.79
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.77
IMNINDOMETHACINA2BXM0.73
IMNINDOMETHACINA3FO70.73
IMNINDOMETHACINA,B,C,D1Z9H0.73
IMNINDOMETHACINA2BXQ0.73
IMNINDOMETHACINA,B,C,D4COX0.73
IMNINDOMETHACINA2ALT0.73
IMNINDOMETHACINA2OTH0.73
IMNINDOMETHACINA,B2DM60.73
IMNINDOMETHACINA1S2A0.73
IMNINDOMETHACINA2ZB80.73
IMNINDOMETHACINA3HWZ0.73
IMNINDOMETHACINA2BXK0.73
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.74
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.7
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.73
SF11-BENZYL-5-CHLORO-3-(PHENYLTHIO)-
1H-INDOLE-2-CARBOXYLIC ACID		A,B2Q610.7
NIXNALIDIXIC ACIDA,B2BQ20.72
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.7
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.73
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE		A,B1FGI0.71
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.79
GBS4-GUANIDINOBENZOIC ACIDX2AH40.72
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.72
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.72
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.72
238A2PRH0.72
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDA,D,E,G,I,J1S320.7
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDD,I,J1M180.7
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M1A0.7
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M190.7
BRFA1UUO0.76
IQA(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-
7-YL)-ACETIC ACID		A1OM10.73
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.74
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.77
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.77
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.77
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.7
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.72
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.72
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.72
QNDQUINALDIC ACIDA,B1IDA0.77
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.72
DPYA,B1JES0.72
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.72
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.7
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.71
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID		A1VCJ0.71
8393-(9-HYDROXY-1,3-DIOXO-4-PHENYL-
2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-
6(1H)-YL)PROPANOIC ACID		A2IN60.73
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.73