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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02279357

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TNSA,B,L2G2R0.71
DOE(S)-2-(4-(2-(2-HYDROXYETHYLTHIO)-
ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-
N,N',N'',N'''-TETRAACETATE
A,B,C,D1NC20.73
TPY(2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E360.71
TPY(2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E370.71
TPY(2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E380.71
PBBS-(4-BROMOBENZYL)CYSTEINEA,B,C,D1AQV0.7
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
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.78
GNBS-P-NITROBENZYLOXYCARBONYLGLUTATHIONEA,B,C,D1QIP0.7
NIYMETA-NITRO-TYROSINEA2ADP0.72
NIYMETA-NITRO-TYROSINEA3DIV0.72
NIYMETA-NITRO-TYROSINEA2H5U0.72
NIYMETA-NITRO-TYROSINEA1K4Q0.72
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.72
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.71
BCSBENZYLCYSTEINEA,B,G,H10GS0.76
BCSBENZYLCYSTEINEA1EH80.76
FOE2-(2-AMINO-3-OXO-PROPYLSULFANYL)-
N-(4-FLUORO-PHENYL)-N-ISOPROPYL-
ACETAMIDE
B1BX90.73
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.73
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.74
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.78
R1F3-{[(2,2,5,5-TETRAMETHYL-1-OXO-
4-PHENYL-2,5-DIHYDRO-1H-PYRROLIUM-
3-YL)METHYL]DISULFANYL}-D-ALANINE
A1ZUR0.73
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.77
PPNPARA-NITROPHENYLALANINEI1YTJ0.86
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.72
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.75
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.76
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.76
PNZP-NITRO-BENZYLAMINEA,B2C700.76
TNBS-(2,3,6-TRINITROPHENYL)CYSTEINEA,B,C,D,E,F,
G,H
1AQX0.83
CS1S-(2-ANILINYL-SULFANYL)-CYSTEINEA,B2OMA0.76
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.77
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.7
AAHH1KEL0.72
AAHB,H1FL60.72