DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Peptidyl-prolyl cis-trans isomerase FKBP5
Ligand Name
(1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
LMMQNDBBWIKJQS-CNKHDIINSA-N
SMILES
COc1ccc(cc1OC)CCC(c2cccc(c2)OCCN3CCOCC3)OC(=O)C4CCCCN4C(=O)C(c5cc(c(c(c5)OC)OC)OC)C6CCCC=C6
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 4TW7
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 atomse4tw7A1
ECOD domains from experimental PDB structures interacting with ligand 37K
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q13451n/a37K4tw7e4tw7A1A:13-140
Q13451n/a37K6txxe6txxA1A:13-140
Q13451n/a37K6txxe6txxB1B:13-140