DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
JWJQXZNLFNMIHE-AHRODOEDSA-N
SMILES
CC1C(C(N=C(S1)N)(C)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF)F
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 6JT3
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Color Legend
Unassigned regionsLigand / hetero atomse6jt3A1e6jt3A2
ECOD domains from experimental PDB structures interacting with ligand C83
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P56817n/aC836jt3e6jt3A1A:-4-183
P56817n/aC836jt3e6jt3A2A:184-385