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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02330335

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.75
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.71
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.72
1MRN-METHYLANILINEX2OTZ0.73
CBE2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-
OXATHIINE-3-CARBOXAMIDE
A,B,C,D,N,O,
P,Q
2FBW0.71
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.73
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.74
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.74
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.74
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.74
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.72
NYLN-ALLYL-ANILINEA1OVK0.71
ISNISATINA,B1OJA0.72
ISNISATINA,B2BK50.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.75
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.75
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.73
A51(3E)-3-[(phenylamino)methylidene]dihydrofuran-
2(3H)-one
A2QFO0.72
TSNTRICHOSTATIN AA,B1T640.76
TSNTRICHOSTATIN AA,B1C3R0.76
TSNTRICHOSTATIN AA,B,C3F0R0.76
TSNTRICHOSTATIN AA,B,C3C100.76
G3E3-hydroxyquinolin-2(1H)-oneA,B,C,D3G3E0.73
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1TV50.71
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1D3H0.71
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.7
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.74
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.81
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.81
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.81
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.81
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.81