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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01315026

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
QNC2-CARBONYLQUINOLINEA,B1MTB0.75
QNC2-CARBONYLQUINOLINEA,B2FGV0.75
QNC2-CARBONYLQUINOLINEI1IVQ0.75
QNC2-CARBONYLQUINOLINEA,B2FGU0.75
QNC2-CARBONYLQUINOLINEA1JLD0.75
QNC2-CARBONYLQUINOLINEA,B1HXB0.75
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.7
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
238A2PRH0.87
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.8
BRFA1UUO0.92
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.74
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN20.71
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN10.71
MTKMONTELUKASTA2NNI0.77
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.79
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.72
8261,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-
9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-
2H-PYRIDO[3,4-B]INDOLE		A,B1I300.72
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.71
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID		A1DCY0.72
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.72
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.72
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.72
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.72
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.72
PQQPYRROLOQUINOLINE QUINONEA1KV90.72
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.72
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.72
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.72
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.72
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.72
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.72
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.72
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.72
PQQPYRROLOQUINOLINE QUINONEA1KB00.72
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.72
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.72
PQQPYRROLOQUINOLINE QUINONEA,C1G720.72
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,B2NMW0.71
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,B3D1Y0.71
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,B2NMY0.71
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,B3CYX0.71
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,B2NNP0.71
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		B1C6Z0.71
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,B2NNK0.71
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		A1FB70.71
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,B2NMZ0.71
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,B3D1X0.71
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.72
DK15,7-DICHLORO-4-HYDROXYQUINOLINE-
2-CARBOXYLIC ACID		A,B1PBQ0.74
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.71
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid		A3FR40.77
IOKN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE		A,B2IOK0.7
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE		A,B1RQY0.71
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.81
1167-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-
2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5-
DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWJ0.74
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.71
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.77
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.78
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGF0.72
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGG0.72
QNDQUINALDIC ACIDA,B1IDA0.88
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A465D0.7
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A452D0.7
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide		A,B,C,D3D3E0.76
NHR2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-
6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-
PENTANEDIOIC ACID		A,B1C3E0.71
BMSA,B1DKF0.8
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.77
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.77
615(1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-
4-yl)methoxy]benzyl}cyclopropane-
1,2-dicarboxamide		A,B3E8R0.73
4PPC,L1XKA0.72
4PPA,B,C,D1XKB0.72
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.73
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.8
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C1KQG0.77
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,D,E,F2VR00.77
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,M,N,O,P1KF60.77
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID		A1D3G0.93
IQA(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-
7-YL)-ACETIC ACID		A1OM10.72
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PC20.75
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B,C,D1ARZ0.75
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PE70.75
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PES0.75
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1C3V0.75
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1P9L0.75
TRO2-HYDROXY-TRYPTOPHANA1KB00.7
TRO2-HYDROXY-TRYPTOPHANA1G3P0.7
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		C2JQ70.79
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		B1OLN0.79
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		A1E9W0.79
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID		A2CBR0.74
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.8
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYN0.78
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYK0.78
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A2QYL0.78
550methyl (1R,2S)-2-(hydroxycarbamoyl)-
1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate		A,B3EDZ0.74
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,F2Q7R0.7
1157-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-
1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWI0.7
FBQ1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-
3-YL)METHYL]THIO}METHYL)PHENYL]-
2,2,2-TRIFLUOROETHANE-1,1-DIOL		A1HBJ0.75
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.77
541(2R)-N-HYDROXY-2-[(3S)-3-METHYL-
3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-
2-OXOPYRROLIDIN-1-YL]PROPANAMIDE		A,B2FV50.71
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.71
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.73
TTG2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-
8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-
INDOLIZINO[1,2-B]QUINOLIN-7-YL)-
2-HYDROXY-BUTYRIC ACID		A,B1RRJ0.71
TTG2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-
8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-
INDOLIZINO[1,2-B]QUINOLIN-7-YL)-
2-HYDROXY-BUTYRIC ACID		A,C,D1K4T0.71
TTG2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-
8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-
INDOLIZINO[1,2-B]QUINOLIN-7-YL)-
2-HYDROXY-BUTYRIC ACID		A,C1RR80.71
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID		A2BRL0.8
642(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-
4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-
1-carboxylic acid		A,B3EWJ0.7
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.71