Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
5-[[(2S)-2-[[(3R,4S)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-(methyl-methylsulfonyl-amino)-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbonylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
XYKCBRCSBVZGIL-WRXYKUNKSA-N
SMILES
CC(C)C(C(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O)NC(=O)CC(C(COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)NC(C)c4ccccc4)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3DM6
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Color Legend
Unassigned regionsLigand / hetero atomse3dm6A2e3dm6A3e3dm6B2e3dm6B3e3dm6C2e3dm6C3
ECOD domains from experimental PDB structures interacting with ligand 757