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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01558351

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANLANILINEA2OV40.77
ANLANILINEA1AEE0.77
ANLANILINEA1PPA0.77
ANLANILINEA1HJ90.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.75
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.75
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.75
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.75
ETP3-(4-BENZENESULFONYL-THIOPHENE-
2-SULFONYLAMINO)-PHENYLBORONIC ACID
A,B1GA90.72
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.85
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.78
NHP4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACIDA,B1CX90.75
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.76
SDA4-AMINO-3,5-DICHLOROBENZENESULFONAMIDEA1ZGE0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
SANSULFANILAMIDEA1AJ00.84
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.76
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.74
1AN2-FLUOROANILINEA1LGW0.79
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.72
ROK4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDEA,B,C,D,E,F,
G,H
2VT50.7
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.76
NBENITROSOBENZENEA1LH70.72
NBENITROSOBENZENEA2LH70.72
NBENITROSOBENZENEA2NSS0.72
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.7
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.7
5AN3,5-DIFLUOROANILINEA1LGX0.79