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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00048586

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.77
SANSULFANILAMIDEA1AJ00.77
5AN3,5-DIFLUOROANILINEA1LGX0.74
ANLANILINEA2OV40.78
ANLANILINEA1AEE0.78
ANLANILINEA1PPA0.78
ANLANILINEA1HJ90.78
PRY2-PROPYL-ANILINEA1OWY0.72
GNR2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-
2-YL)-N-HYDROXYACETAMIDE
A,B1S170.7
NYLN-ALLYL-ANILINEA1OVK0.71
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.75
PHZ1-PHENYLHYDRAZINEA2E2T0.73
PHZ1-PHENYLHYDRAZINED,H2AGL0.73
CS1S-(2-ANILINYL-SULFANYL)-CYSTEINEA,B2OMA0.7
1MRN-METHYLANILINEX2OTZ0.7
NBENITROSOBENZENEA1LH70.7
NBENITROSOBENZENEA2LH70.7
NBENITROSOBENZENEA2NSS0.7
ETP3-(4-BENZENESULFONYL-THIOPHENE-
2-SULFONYLAMINO)-PHENYLBORONIC ACID
A,B1GA90.76
1AN2-FLUOROANILINEA1LGW0.76
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.75
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.75
BSU1,3-DIPHENYLUREAA3E850.7
BSU1,3-DIPHENYLUREAA2ZJF0.7
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.71
XYD2,5-DIMETHYLANILINEA1L4L0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.77
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.74
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.72
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.85
NHP4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACIDA,B1CX90.83
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.76