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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02254714

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NHR2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-
6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-
PENTANEDIOIC ACID		A,B1C3E0.7
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.73
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID		A,F1LEV0.7
BMSA,B1DKF0.73
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.74
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.73
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2HBT0.71
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2HBU0.71
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.73
TRO2-HYDROXY-TRYPTOPHANA1KB00.71
TRO2-HYDROXY-TRYPTOPHANA1G3P0.71
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.82
1167-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-
2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5-
DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWJ0.72
550methyl (1R,2S)-2-(hydroxycarbamoyl)-
1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate		A,B3EDZ0.71
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.71
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.75
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID		A1D3G0.87
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID		A,C1RHM0.72
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE		A2D820.71
DK15,7-DICHLORO-4-HYDROXYQUINOLINE-
2-CARBOXYLIC ACID		A,B1PBQ0.75
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.72
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.72
NTMQUINOLINIC ACIDA3C2O0.71
NTMQUINOLINIC ACIDA,B1QAP0.71
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.71
NTMQUINOLINIC ACIDA,B,C2B7N0.71
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid		A3FR40.72
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID		A2BRL0.75
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.74
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
238A2PRH0.82
FBQ1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-
3-YL)METHYL]THIO}METHYL)PHENYL]-
2,2,2-TRIFLUOROETHANE-1,1-DIOL		A1HBJ0.7
MTKMONTELUKASTA2NNI0.71
ONO2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-
6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-
2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID		A2AYW0.71
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.74
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
QNC2-CARBONYLQUINOLINEA,B1MTB0.82
QNC2-CARBONYLQUINOLINEA,B2FGV0.82
QNC2-CARBONYLQUINOLINEI1IVQ0.82
QNC2-CARBONYLQUINOLINEA,B2FGU0.82
QNC2-CARBONYLQUINOLINEA1JLD0.82
QNC2-CARBONYLQUINOLINEA,B1HXB0.82
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.82
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYN0.74
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYK0.74
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A2QYL0.74
QNDQUINALDIC ACIDA,B1IDA0.89
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.7
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C1KQG0.75
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,D,E,F2VR00.75
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,M,N,O,P1KF60.75
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B2NMW0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B3D1Y0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B2NMY0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B3CYX0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B2NNP0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		B1C6Z0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B2NNK0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A1FB70.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B2NMZ0.7
ROCN~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-
3-(tert-butylcarbamoyl)octahydroisoquinolin-
2(1H)-yl]-2-hydroxypropyl}-N~2~-
(quinolin-2-ylcarbonyl)-L-aspartamide		A,B3D1X0.7
DPYA,B1JES0.72
BRFA1UUO0.87
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PC20.78
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B,C,D1ARZ0.78
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PE70.78
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PES0.78
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1C3V0.78
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1P9L0.78
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.74
ARH3-(HYDROXYMETHYL)-1-METHYL-5-(2-
METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-
INDOLE-4,7-DIONE		A,B,C,D1H690.72
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
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.78
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		C2JQ70.83
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		B1OLN0.83
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		A1E9W0.83
225FELODIPINEA2NNJ0.71
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.72
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.75
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.75