DrugDomain logoDrugDomain

Attributes

UniProt ID
Q04416
Protein Name
4-hydroxybenzoyl-CoA thioesterase
Ligand Name
4-HYDROXYPHENACYL COENZYME A
DrugBank ID
DB03613
PDB Ligand Accession
4CO
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ZQLMPRRTUJBILA-VXAHOBLNSA-N
SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Mol*
Structure: 1Q4T
Open File
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 atomse1q4tA1e1q4tB1
ECOD domains from experimental PDB structures interacting with ligand DB03613
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q04416DB036134CO1q4te1q4tA1A:11-150
Q04416DB036134CO1q4te1q4tB1B:12-150
Q04416DB036134CO3r32e3r32A2A:11-151
Q04416DB036134CO3r32e3r32B2B:12-151
Q04416DB036134CO3r35e3r35A2A:11-151
Q04416DB036134CO3r35e3r35B2B:12-151
Q04416DB036134CO3r37e3r37A2A:12-151
Q04416DB036134CO3r37e3r37B2B:12-151
Q04416DB036134CO3r3be3r3bA2A:11-151
Q04416DB036134CO3r3be3r3bB2B:12-151
Q04416DB036134CO3r3ce3r3cA2A:12-151
Q04416DB036134CO3r3ce3r3cB2B:12-151
Q04416DB036134CO3r3de3r3dA2A:12-151
Q04416DB036134CO3r3de3r3dB2B:12-151
Q04416DB036134CO3r3fe3r3fA2A:12-151
Q04416DB036134CO3r3fe3r3fB2B:12-151
Q04416DB036134CO3teae3teaA2A:12-151
Q04416DB036134CO3teae3teaB2B:12-151