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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03201391

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MCRSULFANYLACETIC ACIDA,B1T0S0.76
MCRSULFANYLACETIC ACIDA,B1T0Q0.76
MCRSULFANYLACETIC ACIDC,D,G,H1NU70.76
MCRSULFANYLACETIC ACIDB,C,E,F1NU90.76
KMT4-(METHYLSULFANYL)-2-OXOBUTANOIC ACIDA,B1V2E0.76
SLE2-(THIOMETHYLENE)-4-METHYLPENTANOIC ACIDA,B1ATL0.78
313(dimethyl-lambda~4~-sulfanyl)acetic acidA,B,C,D3CHG0.72
MPTBETA-MERCAPTOPROPIONIC ACIDG,M,P,S1YYL0.86
MPTBETA-MERCAPTOPROPIONIC ACIDG,M,P,S2I600.86
MPTBETA-MERCAPTOPROPIONIC ACIDA,B1XY10.86
MPTBETA-MERCAPTOPROPIONIC ACIDA,B1K090.86
MPTBETA-MERCAPTOPROPIONIC ACIDG,M,P,S1YYM0.86
MPTBETA-MERCAPTOPROPIONIC ACIDG,M,P,S2I5Y0.86
MPTBETA-MERCAPTOPROPIONIC ACIDA,B,C2VDN0.86
MDX11-MERCAPTOUNDECANOIC ACIDA,B2QNX0.71
MYQ(S)-(1,2-DICARBOXYETHYLTHIO)GOLDA2ATO0.82
BUABUTANOIC ACIDA2CZ00.77
BUABUTANOIC ACIDA1P0I0.77
BUABUTANOIC ACIDA,B2HA70.77
BUABUTANOIC ACIDA1UK70.77
BUABUTANOIC ACIDA2J4C0.77
BUABUTANOIC ACIDA1ZRM0.77
BUABUTANOIC ACIDA3DLT0.77
BUABUTANOIC ACIDA1UGP0.77
BUABUTANOIC ACIDA,B2CZ10.77