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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00255884

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
8261,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-
9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-
2H-PYRIDO[3,4-B]INDOLE
A,B1I300.7
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCL0.71
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCJ0.71
NHR2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-
6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-
PENTANEDIOIC ACID
A,B1C3E0.7
7CK7-carboxy-5-hydroxy-12,13-dihydro-
6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole
A,B2R0G0.72
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid
A3FR20.71
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PC20.82
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B,C,D1ARZ0.82
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PE70.82
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PES0.82
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1C3V0.82
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1P9L0.82
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.77
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1I430.75
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.77
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.77
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.77
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.77
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.77
PQQPYRROLOQUINOLINE QUINONEA1KV90.77
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.77
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.77
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.77
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.77
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.77
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.77
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.77
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.77
PQQPYRROLOQUINOLINE QUINONEA1KB00.77
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.77
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.77
PQQPYRROLOQUINOLINE QUINONEA,C1G720.77
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCK0.7
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCM0.7
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID
A,B,C,D1H9U0.74
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID
A1B9I0.73
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.7
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.79
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
C2JQ70.81
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
B1OLN0.81
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
A1E9W0.81
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.75
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID
A,F1LEV0.71
NTMQUINOLINIC ACIDA3C2O0.75
NTMQUINOLINIC ACIDA,B1QAP0.75
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.75
NTMQUINOLINIC ACIDA,B,C2B7N0.75
ONO2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-
6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-
2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID
A2AYW0.71
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2HBT0.78
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2HBU0.78
DPYA,B1JES0.74
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID
A1Z8N0.73
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
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.73
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.7
QNDQUINALDIC ACIDA,B1IDA0.91
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.74
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.74
238A2PRH0.75
BMSA,B1DKF0.71
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2G190.76
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2G1M0.76
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.88
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.74
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.74
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.74
TRO2-HYDROXY-TRYPTOPHANA1KB00.73
TRO2-HYDROXY-TRYPTOPHANA1G3P0.73
BRFA1UUO0.79
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.76
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.76
7722-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4H0.71
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A,B2QYN0.72
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A,B2QYK0.72
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A2QYL0.72
DK15,7-DICHLORO-4-HYDROXYQUINOLINE-
2-CARBOXYLIC ACID
A,B1PBQ0.83