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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02419035

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GGC1-MENAPHTHYL GLUTATHIONE CONJUGATEA,B3LJR0.74
GSBS-BENZYL-GLUTATHIONEA,B,C,D1FRO0.81
GSBS-BENZYL-GLUTATHIONEA,B,C,D1GUH0.81
FBDN-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-
L-glutamic acid
A3D7D0.7
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.7
GSOL-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-
2-PHENYLETHYL]-L-CYSTEINYLGLYCINE
A,B,C,D2C4J0.73
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.72
GIPS-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONEA,B1QIN0.82
GNBS-P-NITROBENZYLOXYCARBONYLGLUTATHIONEA,B,C,D1QIP0.84
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B1RXH0.72
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B1I9H0.72
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B2FHL0.72
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B1RXK0.72
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B2OFB0.72
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B1IJ80.72
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B2OF80.72
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B,C,D1RXJ0.72
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
X,Y2FHN0.72
G23(2R,4S)-2-[(R)-BENZYLCARBAMOYL-
PHENYLACETYL-METHYL]-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID
A1HTE0.71
GBIS-(3-IODOBENZYL)GLUTATHIONEA2GSQ0.79
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAD0.96
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D,E,F1GTI0.96
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAC0.96
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B1GLQ0.96
GTBS-(P-NITROBENZYL)GLUTATHIONEB,D2QMC0.96
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2VO40.96
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D1K0C0.96
AIC(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLIC ACID
A2RDD0.7
AIC(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLIC ACID
A,B,C,D1NX90.7
AIC(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLIC ACID
A1H8S0.7
AIC(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLIC ACID
A2EX60.7
EPY1-HYDROXY-2-S-GLUTATHIONYL-3-PARA-
NITROPHENOXY-PROPANE
A,B,C,D1C720.75
DOE(S)-2-(4-(2-(2-HYDROXYETHYLTHIO)-
ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-
N,N',N'',N'''-TETRAACETATE
A,B,C,D1NC20.76
AAHH1KEL0.7
AAHB,H1FL60.7
GBPS-(N-HYDROXY-N-BROMOPHENYLCARBAMOYL)GLUTATHIONEA,B1QH50.78
CEH5-{3-(S)-(4-(R)-ACETYLAMINO-4-CARBOXY-
BUTYRYLAMINO)-3-[1-(R)-(1-(R)-CARBOXY-
ETHYLCARBAMOYL)-ETHYLCARBAMOYL]-
PROPYL}-2-(CARBOXY-PHENYLACETYLAMINO-
METHYL)-3,6-DIHYDRO-2H-[1,3]THIAZINE-
4-CARBOXYLIC ACID
A1HVB0.75
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B5GST0.86
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A1HNA0.86
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B1VF30.86
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B,C,D1HNC0.86
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B,C1XWK0.86
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B18GS0.86
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A1GSQ0.86
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B1HNB0.86
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.75