DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(2E,5R)-5-[3-(5-chloropyridin-3-yl)phenyl]-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
SZDQNTKTWBPIBH-GOSISDBHSA-N
SMILES
CN1C(=O)C(NC1=N)(c2cccc(c2)c3cc(cnc3)Cl)C4CC4
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 4DJX
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Color Legend
Unassigned regionsLigand / hetero atomse4djxA2e4djxA3e4djxB2e4djxB3
ECOD domains from experimental PDB structures interacting with ligand 0KQ
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P56817n/a0KQ4djxe4djxA2A:245-447
P56817n/a0KQ4djxe4djxA3A:58-244
P56817n/a0KQ4djxe4djxB2B:245-446
P56817n/a0KQ4djxe4djxB3B:58-244