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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02480287

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PDM4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-
PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID
A,B,C1L2O0.7
PDM4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-
PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID
A,C1KWO0.7
TNBS-(2,3,6-TRINITROPHENYL)CYSTEINEA,B,C,D,E,F,
G,H
1AQX0.7
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2CL70.72
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2CL60.72
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2CE20.72
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2EVW0.72
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2CL00.72
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2CLC0.72
HFTHYDROXYFLUTAMIDEA2AX60.72
SG13-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)-
BENZENESULFONAMIDE
A1KWQ0.71
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.75
NPPN-(2-AMINO-ETHYL)-4,6-DINITRO-N'-
(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-
4-YL)-BENZENE-1,3-DIAMINE
L1BAF0.76
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.72
MLN(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-
P-NITROANILIDE
A1BSK0.74
MLN(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-
P-NITROANILIDE
A1BSJ0.74
DOE(S)-2-(4-(2-(2-HYDROXYETHYLTHIO)-
ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-
N,N',N'',N'''-TETRAACETATE
A,B,C,D1NC20.7
DAEO,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE-
BERYLLIUM TRIFLUORIDE
A1D1A0.81
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.76
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.75
ONPO-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Y0.78
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAD0.71
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D,E,F1GTI0.71
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAC0.71
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B1GLQ0.71
GTBS-(P-NITROBENZYL)GLUTATHIONEB,D2QMC0.71
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2VO40.71
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D1K0C0.71
MNQM-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0X0.76
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.73
01W(2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoateA,B3DS90.89
PNQP-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Z0.75
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B5GST0.73
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A1HNA0.73
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B1VF30.73
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B,C,D1HNC0.73
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B,C1XWK0.73
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B18GS0.73
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A1GSQ0.73
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B1HNB0.73
FOE2-(2-AMINO-3-OXO-PROPYLSULFANYL)-
N-(4-FLUORO-PHENYL)-N-ISOPROPYL-
ACETAMIDE
B1BX90.71
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid
A,B2WKW0.7
NMQN-METHYL O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D1C0.73
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.74
FG1N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)-
PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}-
ETHYL)-PHENYL]-OXALAMIC ACID
A1NWE0.71
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.81
PGGPARA-NITROPHENYLPHOSPHONOBUTANOYL-
GLYCINE
L1YEI0.7
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.8
GIPS-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONEA,B1QIN0.72
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.7
DAQO,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D1B0.79