DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(5S)-7-(2-fluoropyridin-3-yl)-3-[(3-methyloxetan-3-yl)ethynyl]spiro[chromeno[2,3-b]pyridine-5,4'-[1,3]oxazol]-2'-amine
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
GKKFBOARESVMBW-VWLOTQADSA-N
SMILES
CC1(COC1)C#Cc2cc3c(nc2)Oc4ccc(cc4C35COC(=N5)N)c6cccnc6F
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 4RCD
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Color Legend
Unassigned regionsLigand / hetero atomse4rcdA1e4rcdA2
ECOD domains from experimental PDB structures interacting with ligand 3LL
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P56817n/a3LL4rcde4rcdA1A:-1-183
P56817n/a3LL4rcde4rcdA2A:184-385