DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(2E,5R)-5-(2-cyclohexylethyl)-5-{[(1S,3R)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
NOZCXTAZEGFFAQ-XZDHIHRUSA-N
SMILES
CN1C(=O)C(NC1=N)(CCC2CCCCC2)CC3CCCC(C3)NC4CCCC4
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 4R91
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Color Legend
Unassigned regionsLigand / hetero atomse4r91A1e4r91A2e4r91B1e4r91B2
ECOD domains from experimental PDB structures interacting with ligand 3KT
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P56817n/a3KT4r91e4r91A1A:245-447
P56817n/a3KT4r91e4r91A2A:58-244
P56817n/a3KT4r91e4r91B1B:245-446
P56817n/a3KT4r91e4r91B2B:58-244