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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03127371

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TNSA,B,L2G2R0.76
ONPO-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Y0.74
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.73
TNBS-(2,3,6-TRINITROPHENYL)CYSTEINEA,B,C,D,E,F,
G,H
1AQX0.72
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.73
MNQM-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0X0.73
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.71
PNQP-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Z0.71
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE
L35C80.73
GBPS-(N-HYDROXY-N-BROMOPHENYLCARBAMOYL)GLUTATHIONEA,B1QH50.71
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.75
MLN(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-
P-NITROANILIDE
A1BSK0.72
MLN(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-
P-NITROANILIDE
A1BSJ0.72
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B5GST0.76
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A1HNA0.76
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B1VF30.76
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B,C,D1HNC0.76
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B,C1XWK0.76
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B18GS0.76
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A1GSQ0.76
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B1HNB0.76
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAD0.74
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D,E,F1GTI0.74
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAC0.74
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B1GLQ0.74
GTBS-(P-NITROBENZYL)GLUTATHIONEB,D2QMC0.74
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2VO40.74
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D1K0C0.74
AAHH1KEL0.73
AAHB,H1FL60.73
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.71
01W(2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoateA,B3DS90.92
GIPS-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONEA,B1QIN0.74
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.7
DAQO,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D1B0.76
DAEO,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE-
BERYLLIUM TRIFLUORIDE
A1D1A0.77
NPPN-(2-AMINO-ETHYL)-4,6-DINITRO-N'-
(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-
4-YL)-BENZENE-1,3-DIAMINE
L1BAF0.75
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.79
PPNPARA-NITROPHENYLALANINEI1YTJ0.74