Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
3-[[(2S)-2-[[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
FZZOBXKGDCMGAL-NAJARDBOSA-N
SMILES
CC(C)CC(C(=O)NCC(CCc1ccccc1)(C(=O)Nc2cccc(c2)C(=O)O)O)NC(=O)C(C(C)C)NC(=O)C(CNC(=O)c3[nH]nnn3)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3KYR
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Color Legend
Unassigned regionsLigand / hetero atomse3kyrA2e3kyrA3e3kyrB2e3kyrB3e3kyrC2e3kyrC3
ECOD domains from experimental PDB structures interacting with ligand 038