LigandBoxID:PDB_CH6

NAME:CH6;{(4Z)-2-[(1S)-1-amino-3-(methylsulfanyl)propyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;CHROMOPHORE (MET-TYR-GLY)
SMILES: CSCCC(c2nc(c(n2CC(=O)O)=O)=Cc1ccc(cc1)O)N

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

PDB_LIGAND
CH6(PDBeCHEM) CH6(ChemComp)

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C16H19N3O4S 349.410 0 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
5 1 -1.7916 -7.8653
LOGS LOGP    
-2.9872 1.6902    

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