DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(3E,5S)-5-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2,5-dimethyl-1,2,4-thiadiazinan-3-imine 1,1-dioxide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
VKVMIZCLMUKTTA-KRWDZBQOSA-N
SMILES
CC#Cc1cc(cnc1)c2cc(c(s2)C3(CS(=O)(=O)N(C(=N)N3)C)C)Cl
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Structure: 5HTZ
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Color Legend
Unassigned regionsLigand / hetero atomse5htzA1e5htzA2e5htzB1e5htzB2
ECOD domains from experimental PDB structures interacting with ligand 66J
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P56817n/a66J5htze5htzA1A:57-244
P56817n/a66J5htze5htzA2A:245-447
P56817n/a66J5htze5htzB1B:245-446
P56817n/a66J5htze5htzB2B:57-244