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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02169300

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.7
TNSA,B,L2G2R0.71
TNBS-(2,3,6-TRINITROPHENYL)CYSTEINEA,B,C,D,E,F,
G,H
1AQX0.72
FOE2-(2-AMINO-3-OXO-PROPYLSULFANYL)-
N-(4-FLUORO-PHENYL)-N-ISOPROPYL-
ACETAMIDE
B1BX90.7
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAD0.8
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D,E,F1GTI0.8
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAC0.8
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B1GLQ0.8
GTBS-(P-NITROBENZYL)GLUTATHIONEB,D2QMC0.8
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2VO40.8
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D1K0C0.8
AAHH1KEL0.71
AAHB,H1FL60.71
01W(2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoateA,B3DS90.71
PN1(2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLIC ACID
A1W2N0.7
PN1(2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLIC ACID
A1UNB0.7
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.7
DOE(S)-2-(4-(2-(2-HYDROXYETHYLTHIO)-
ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-
N,N',N'',N'''-TETRAACETATE
A,B,C,D1NC20.72
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B5GST0.71
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A1HNA0.71
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B1VF30.71
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B,C,D1HNC0.71
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B,C1XWK0.71
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B18GS0.71
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A1GSQ0.71
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B1HNB0.71
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B1RXH0.7
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B1I9H0.7
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B2FHL0.7
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B1RXK0.7
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B2OFB0.7
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B1IJ80.7
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B2OF80.7
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B,C,D1RXJ0.7
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
X,Y2FHN0.7
G23(2R,4S)-2-[(R)-BENZYLCARBAMOYL-
PHENYLACETYL-METHYL]-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID
A1HTE0.73
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.79
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
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.74
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.72
PPNPARA-NITROPHENYLALANINEI1YTJ0.74