DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Heat shock protein HSP 90-alpha
Ligand Name
5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
APGOABVITLQCKW-UHFFFAOYSA-N
SMILES
CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)CN4CCOCC4
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 2VCJ
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 atomse2vcjA1
ECOD domains from experimental PDB structures interacting with ligand DB06961
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P07900DB069612EQ2vcje2vcjA1A:17-223
P07900DB069612EQ5nyie5nyiA1A:16-224