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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00089519

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
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER		B1LPK0.71
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2G190.73
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2G1M0.73
BMSA,B1DKF0.75
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		C2JQ70.86
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		B1OLN0.86
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		A1E9W0.86
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid		A3FR40.75
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID		A2BRL0.77
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C1KQG0.76
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,D,E,F2VR00.76
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,M,N,O,P1KF60.76
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.74
MTKMONTELUKASTA2NNI0.72
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.78
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.78
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.78
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.78
1167-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-
2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5-
DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWJ0.72
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.76
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.76
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID		A1B9I0.7
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.71
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID		A,F1LEV0.75
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID		A1D3G0.87
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.86
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.77
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.79
NTMQUINOLINIC ACIDA3C2O0.76
NTMQUINOLINIC ACIDA,B1QAP0.76
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.76
NTMQUINOLINIC ACIDA,B,C2B7N0.76
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.7
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.76
DPYA,B1JES0.76
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.78
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.78
MR62-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLEA,B2QGE0.7
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.78
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.78
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.78
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.78
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.78
PQQPYRROLOQUINOLINE QUINONEA1KV90.78
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.78
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.78
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.78
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.78
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.78
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.78
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.78
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.78
PQQPYRROLOQUINOLINE QUINONEA1KB00.78
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.78
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.78
PQQPYRROLOQUINOLINE QUINONEA,C1G720.78
238A2PRH0.82
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.78
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.73
DK15,7-DICHLORO-4-HYDROXYQUINOLINE-
2-CARBOXYLIC ACID		A,B1PBQ0.81
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.75
TRO2-HYDROXY-TRYPTOPHANA1KB00.72
TRO2-HYDROXY-TRYPTOPHANA1G3P0.72
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.7
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.76
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PC20.84
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B,C,D1ARZ0.84
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PE70.84
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PES0.84
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1C3V0.84
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1P9L0.84
QNC2-CARBONYLQUINOLINEA,B1MTB0.8
QNC2-CARBONYLQUINOLINEA,B2FGV0.8
QNC2-CARBONYLQUINOLINEI1IVQ0.8
QNC2-CARBONYLQUINOLINEA,B2FGU0.8
QNC2-CARBONYLQUINOLINEA1JLD0.8
QNC2-CARBONYLQUINOLINEA,B1HXB0.8
QUI2-CARBOXYQUINOXALINEA1PFE0.7
QUI2-CARBOXYQUINOXALINEA,B2DA80.7
QUI2-CARBOXYQUINOXALINEA,C,E,G2ADW0.7
QUI2-CARBOXYQUINOXALINEA1VS20.7
QUI2-CARBOXYQUINOXALINEA1XVN0.7
QUI2-CARBOXYQUINOXALINEA,B185D0.7
QUI2-CARBOXYQUINOXALINEA1XVK0.7
QUI2-CARBOXYQUINOXALINEA,C1XVR0.7
QUI2-CARBOXYQUINOXALINEA,B3GO30.7
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide		A,B,C,D3D3E0.73
FBQ1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-
3-YL)METHYL]THIO}METHYL)PHENYL]-
2,2,2-TRIFLUOROETHANE-1,1-DIOL		A1HBJ0.72
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.77
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.76
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.73
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.72
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID		A1C840.71
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A1C8L0.72
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A2AMV0.72
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM		A3AMV0.72
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.8
BRFA1UUO0.87
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2HBT0.74
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2HBU0.74
QNDQUINALDIC ACIDA,B1IDA0.97
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,B2NMW0.72
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,B3D1Y0.72
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,B2NMY0.72
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,B3CYX0.72
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,B2NNP0.72
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		B1C6Z0.72
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,B2NNK0.72
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		A1FB70.72
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,B2NMZ0.72
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,B3D1X0.72
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.77
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE		A2D820.72
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.7
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.7
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYN0.77
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYK0.77
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A2QYL0.77
7722-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4H0.71
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID		A,C1RHM0.71
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.72