DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
V-1 protease
Ligand Name
(5R,6R)-5-BENZYL-6-HYDROXY-2,4-BIS(4-HYDROXY-3-METHOXYBENZYL)-1-[3-(4-HYDROXYPHENYL)PROPANOYL]-1,2,4-TRIAZEPAN-3-ONE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
LSKQYQOZDSRURR-QLWXXVCSSA-N
SMILES
COc1cc(ccc1O)CN2C(C(CN(N(C2=O)Cc3ccc(c(c3)OC)O)C(=O)CCc4ccc(cc4)O)O)Cc5ccccc5
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 2A4F
Hover over the Mol* viewer to rotate or zoom with the mouse. Move the cursor out of the viewer to go back to normal page scrolling and one-click navigation.
Hover inside the viewer to rotate or zoom. Move out to scroll the page or click links normally.
Color Legend
Unassigned regionsLigand / hetero atomse2a4fA1e2a4fB1
ECOD domains from experimental PDB structures interacting with ligand AAU
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q9Q2G8n/aAAU2a4fe2a4fA1A:1-99
Q9Q2G8n/aAAU2a4fe2a4fB1B:1-99