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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00486045

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DOE(S)-2-(4-(2-(2-HYDROXYETHYLTHIO)-
ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-
N,N',N'',N'''-TETRAACETATE
A,B,C,D1NC20.73
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.78
NC1NITROCEFIN ACYL-SERINEA,B1MWS0.7
NC1NITROCEFIN ACYL-SERINEA2UWX0.7
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.71
G23(2R,4S)-2-[(R)-BENZYLCARBAMOYL-
PHENYLACETYL-METHYL]-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID
A1HTE0.71
TNBS-(2,3,6-TRINITROPHENYL)CYSTEINEA,B,C,D,E,F,
G,H
1AQX0.73
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.73
HFTHYDROXYFLUTAMIDEA2AX60.71
FOE2-(2-AMINO-3-OXO-PROPYLSULFANYL)-
N-(4-FLUORO-PHENYL)-N-ISOPROPYL-
ACETAMIDE
B1BX90.71
PPNPARA-NITROPHENYLALANINEI1YTJ0.72
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.74
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAD0.78
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D,E,F1GTI0.78
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAC0.78
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B1GLQ0.78
GTBS-(P-NITROBENZYL)GLUTATHIONEB,D2QMC0.78
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2VO40.78
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D1K0C0.78
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.71