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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03399661

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0AYdiethyl [(1R)-1,5-diaminopentyl]boronateA,H1BTX0.7
DIPDIPENTYLAMINEC,D1A1B0.74
DIPDIPENTYLAMINEC,D1A070.74
DIPDIPENTYLAMINEC,D1A1A0.74
DIPDIPENTYLAMINEC,D1A080.74
DIPDIPENTYLAMINEC,D1A090.74
NBA3-[(3-{[3-(METHYLAMINO)PROPYL]AMINO}PROPYL)AMINO]PROPANE-
1,1-DIOL
A,B,C1H860.8
NBA3-[(3-{[3-(METHYLAMINO)PROPYL]AMINO}PROPYL)AMINO]PROPANE-
1,1-DIOL
A,B,C1H840.8
HHO1-(HYDROXYMETHYLENEAMINO)-8-HYDROXY-
OCTANE
I,J1AY60.74
DR0N-(HYDROXYMETHYL)-N,N-DIMETHYLHEXAN-
1-AMINIUM
A2ASC0.7
CCD(4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-
1-AMINIUM
A,B2VJD0.72
CCD(4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-
1-AMINIUM
A,B2VJC0.72
CCD(4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-
1-AMINIUM
A,B2VJB0.72
CCD(4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-
1-AMINIUM
A,B2VJA0.72
XIFPIPERIDINE-3,4-DIOLA1V0L0.7
XIFPIPERIDINE-3,4-DIOLA1V0N0.7
XIFPIPERIDINE-3,4-DIOLA1FH80.7