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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03032695

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ML32-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-
N,N,N-trimethylethanaminium
F3C1B0.73
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA2K3Y0.71
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA,E3C1C0.71
MT2[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfoniumA3C8F0.71
2MMN,N-dimethyl-L-methionineA,B,C,E,F,G,
I,J,K,M,N,O
3CJT0.77
2MMN,N-dimethyl-L-methionineA,B,D,E,G,H3CJQ0.77
BCH2-(BUTYRYLSULFANYL)-N,N,N-TRIMETHYLETHANAMINIUMA1P0P0.72
BCH2-(BUTYRYLSULFANYL)-N,N,N-TRIMETHYLETHANAMINIUMA,B2HA70.72
4MM(1S)-1-carboxy-N,N,N-trimethyl-
3-(methylsulfanyl)propan-1-aminium
A,B3EGV0.81