Attributes
UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatric yclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
GCZHKZTYTMTFGU-JHOUSYSJSA-N
SMILES
CC(C)c1cccc(c1)C2(CC2)NCC(C3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)N3)COC)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 3K5C
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Color Legend
Unassigned regionsLigand / hetero atomse3k5cA2e3k5cA3e3k5cB2e3k5cB3e3k5cC2e3k5cC3
ECOD domains from experimental PDB structures interacting with ligand 0BI
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P56817 | n/a | 0BI | 3k5c | e3k5cA2 | A:184-385 |
| P56817 | n/a | 0BI | 3k5c | e3k5cA3 | A:46P-183 |
| P56817 | n/a | 0BI | 3k5c | e3k5cB2 | B:184-385 |
| P56817 | n/a | 0BI | 3k5c | e3k5cB3 | B:46P-183 |
| P56817 | n/a | 0BI | 3k5c | e3k5cC2 | C:184-385 |
| P56817 | n/a | 0BI | 3k5c | e3k5cC3 | C:46P-183 |
| P56817 | n/a | 0BI | 5qd7 | e5qd7A1 | A:-2-183 |
| P56817 | n/a | 0BI | 5qd7 | e5qd7A2 | A:184-385 |
| P56817 | n/a | 0BI | 5qd7 | e5qd7B1 | B:-2-183 |
| P56817 | n/a | 0BI | 5qd7 | e5qd7B2 | B:184-385 |
| P56817 | n/a | 0BI | 5qd7 | e5qd7C1 | C:-2-183 |
| P56817 | n/a | 0BI | 5qd7 | e5qd7C2 | C:184-385 |