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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02358003

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
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.71
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
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCL0.71
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCJ0.71
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.7
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.7
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.71
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.71
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.71
1167-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-
2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5-
DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWJ0.7
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.74
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.78
DTRD-TRYPTOPHANA,B,C,D2R3C0.7
DTRD-TRYPTOPHANA1XY80.7
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.7
DTRD-TRYPTOPHANA2V7K0.7
DTRD-TRYPTOPHANA,D1CZQ0.7
DTRD-TRYPTOPHANA1DFY0.7
DTRD-TRYPTOPHANA1XY50.7
DTRD-TRYPTOPHANA1NXN0.7
DTRD-TRYPTOPHANA1TKF0.7
DTRD-TRYPTOPHANA1YL90.7
DTRD-TRYPTOPHANA1XXZ0.7
DTRD-TRYPTOPHANA1XY40.7
DTRD-TRYPTOPHANA,D2Q3I0.7
DTRD-TRYPTOPHANA1QFB0.7
DTRD-TRYPTOPHANA1DFZ0.7
DTRD-TRYPTOPHANA1XY90.7
DTRD-TRYPTOPHANA1XY60.7
DTRD-TRYPTOPHANA2SOC0.7
DTRD-TRYPTOPHANA2JUE0.7
DTRD-TRYPTOPHANA1SOC0.7
DTRD-TRYPTOPHANA1YL80.7
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.7
DTRD-TRYPTOPHANA,B2Q330.7
DTRD-TRYPTOPHANA1DG00.7
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.7
IQA(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-
7-YL)-ACETIC ACID		A1OM10.71
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.74
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.74
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID		A2BRL0.77
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.71
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		C2JQ70.78
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		B1OLN0.78
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID		A1E9W0.78
NIXNALIDIXIC ACIDA,B2BQ20.71
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid		A3FR40.74
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.73
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.73
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.73
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.73
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.73
PQQPYRROLOQUINOLINE QUINONEA1KV90.73
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.73
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.73
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.73
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.73
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.73
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.73
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.73
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.73
PQQPYRROLOQUINOLINE QUINONEA1KB00.73
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.73
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.73
PQQPYRROLOQUINOLINE QUINONEA,C1G720.73
MTKMONTELUKASTA2NNI0.72
4PPC,L1XKA0.71
4PPA,B,C,D1XKB0.71
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.75
550methyl (1R,2S)-2-(hydroxycarbamoyl)-
1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate		A,B3EDZ0.71
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.73
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID		A,C1RHM0.72
DK15,7-DICHLORO-4-HYDROXYQUINOLINE-
2-CARBOXYLIC ACID		A,B1PBQ0.73
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID		A1D3G0.88
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.79
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.73
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.78
BMSA,B1DKF0.78
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.72
NIONICOTINIC ACIDA1JHQ0.72
NIONICOTINIC ACIDA1L5L0.72
NIONICOTINIC ACIDA2F7F0.72
NIONICOTINIC ACIDA1L5K0.72
NIONICOTINIC ACIDA1JHY0.72
NIONICOTINIC ACIDA,B1FSL0.72
NIONICOTINIC ACIDA1L5M0.72
NIONICOTINIC ACIDA1LH60.72
NIONICOTINIC ACIDA1JHO0.72
NIONICOTINIC ACIDA3CI80.72
NIONICOTINIC ACIDA,B,C,D1ICU0.72
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H		3HRD0.72
NIONICOTINIC ACIDA1JHA0.72
NIONICOTINIC ACIDA1JHV0.72
NIONICOTINIC ACIDA1L4N0.72
NIONICOTINIC ACIDA2LH60.72
NIONICOTINIC ACIDA1D0V0.72
NIONICOTINIC ACIDA,B,C,D1ICV0.72
NIONICOTINIC ACIDA,B1ICR0.72
NIONICOTINIC ACIDA1JHR0.72
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYN0.81
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYK0.81
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A2QYL0.81
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
238A2PRH0.83
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2G190.72
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2G1M0.72
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID		A1B9I0.73
TTG2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-
8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-
INDOLIZINO[1,2-B]QUINOLIN-7-YL)-
2-HYDROXY-BUTYRIC ACID		A,B1RRJ0.7
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,D1K4T0.7
TTG2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-
8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-
INDOLIZINO[1,2-B]QUINOLIN-7-YL)-
2-HYDROXY-BUTYRIC ACID		A,C1RR80.7
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.71
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.77
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.71
IOPINDOLYLPROPIONIC ACIDA2OLI0.71
IOPINDOLYLPROPIONIC ACIDA,B2AY50.71
QNDQUINALDIC ACIDA,B1IDA0.87
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.74
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID		A1DCY0.7
8261,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-
9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-
2H-PYRIDO[3,4-B]INDOLE		A,B1I300.71
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.72
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.72
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.75
NTMQUINOLINIC ACIDA3C2O0.73
NTMQUINOLINIC ACIDA,B1QAP0.73
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.73
NTMQUINOLINIC ACIDA,B,C2B7N0.73
TRO2-HYDROXY-TRYPTOPHANA1KB00.72
TRO2-HYDROXY-TRYPTOPHANA1G3P0.72
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.71
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C1KQG0.78
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,D,E,F2VR00.78
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE		A,B,C,M,N,O,P1KF60.78
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.74
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.8
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.73
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2HBT0.72
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2HBU0.72
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
FBQ1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-
3-YL)METHYL]THIO}METHYL)PHENYL]-
2,2,2-TRIFLUOROETHANE-1,1-DIOL		A1HBJ0.72
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN20.7
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN10.7
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.71
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.77
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide		A,B,C,D3D3E0.75
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.78
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.78
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.73
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.78
BRFA1UUO0.88
ARH3-(HYDROXYMETHYL)-1-METHYL-5-(2-
METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-
INDOLE-4,7-DIONE		A,B,C,D1H690.7
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.72
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.7
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.73
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE		A,B1RQY0.7
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.71
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.77
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.7