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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03217735

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1AN2-FLUOROANILINEA1LGW0.74
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.75
5AN3,5-DIFLUOROANILINEA1LGX0.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.75
ETP3-(4-BENZENESULFONYL-THIOPHENE-
2-SULFONYLAMINO)-PHENYLBORONIC ACID
A,B1GA90.75
PHZ1-PHENYLHYDRAZINEA2E2T0.73
PHZ1-PHENYLHYDRAZINED,H2AGL0.73
CS1S-(2-ANILINYL-SULFANYL)-CYSTEINEA,B2OMA0.7
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.78
PRY2-PROPYL-ANILINEA1OWY0.71
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.86
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.74
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.75
ANLANILINEA2OV40.76
ANLANILINEA1AEE0.76
ANLANILINEA1PPA0.76
ANLANILINEA1HJ90.76
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.75
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.75
SANSULFANILAMIDEA1AJ00.8
GNR2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-
2-YL)-N-HYDROXYACETAMIDE
A,B1S170.71
BSU1,3-DIPHENYLUREAA3E850.7
BSU1,3-DIPHENYLUREAA2ZJF0.7
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.74
NHP4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACIDA,B1CX90.82