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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01484668

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
2052-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-
6-CARBOXYLIC ACID
A,B2F8I0.72
QUNQUINACRINEA,B1JQE0.7
RXC(1S)-1-(3-chlorophenyl)-2-oxo-2-
[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-
5-yl)amino]ethyl acetate
A,B,C,D3DEJ0.73
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2HBT0.71
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2HBU0.71
IMNINDOMETHACINA2BXM0.72
IMNINDOMETHACINA3FO70.72
IMNINDOMETHACINA,B,C,D1Z9H0.72
IMNINDOMETHACINA2BXQ0.72
IMNINDOMETHACINA,B,C,D4COX0.72
IMNINDOMETHACINA2ALT0.72
IMNINDOMETHACINA2OTH0.72
IMNINDOMETHACINA,B2DM60.72
IMNINDOMETHACINA1S2A0.72
IMNINDOMETHACINA2ZB80.72
IMNINDOMETHACINA3HWZ0.72
IMNINDOMETHACINA2BXK0.72
225FELODIPINEA2NNJ0.75
MTKMONTELUKASTA2NNI0.73
NZA5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-
1H-INDOLE-2-CARBOXYLIC ACID
A,B2Q5S0.73
6691-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)-
1H-INDOLE-2-CARBOXYLIC ACID
A1MZS0.74
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
C2JQ70.74
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
B1OLN0.74
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
A1E9W0.74
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID
A,F1LEV0.74
BRFA1UUO0.77
238A2PRH0.82
A465-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-
1H-indole-2-carboxamide
A,B2ZB20.71
DK15,7-DICHLORO-4-HYDROXYQUINOLINE-
2-CARBOXYLIC ACID
A,B1PBQ0.81
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.71
QNDQUINALDIC ACIDA,B1IDA0.84
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A1C8L0.75
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A2AMV0.75
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A3AMV0.75
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.74
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID
A2BRK0.73
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PC20.73
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B,C,D1ARZ0.73
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PE70.73
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PES0.73
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1C3V0.73
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1P9L0.73
SF11-BENZYL-5-CHLORO-3-(PHENYLTHIO)-
1H-INDOLE-2-CARBOXYLIC ACID
A,B2Q610.72
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A,B2QYN0.7
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A,B2QYK0.7
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A2QYL0.7
V25ethyl 3-[(E)-2-amino-1-cyanoethenyl]-
6,7-dichloro-1-methyl-1H-indole-
2-carboxylate
A2VAG0.73
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER
B1LPK0.75
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.76
DPYA,B1JES0.72
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.77