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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00002687

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.82
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.74
ETP3-(4-BENZENESULFONYL-THIOPHENE-
2-SULFONYLAMINO)-PHENYLBORONIC ACID
A,B1GA90.7
1AN2-FLUOROANILINEA1LGW0.78
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.83
I7B4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDEA2POV0.75
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.74
CS1S-(2-ANILINYL-SULFANYL)-CYSTEINEA,B2OMA0.7
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.76
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.75
ANLANILINEA2OV40.81
ANLANILINEA1AEE0.81
ANLANILINEA1PPA0.81
ANLANILINEA1HJ90.81
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.94
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
5AN3,5-DIFLUOROANILINEA1LGX0.76
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.82
LJGN,N'-(iminodiethane-2,1-diyl)bis[4-
amino-N-(2-methylpropyl)benzenesulfonamide]
B3BGB0.73
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.74
MB12-chloro-5-nitrobenzenesulfonamideA2QP60.71
1MRN-METHYLANILINEX2OTZ0.71