Reaction Details Report a problem with these data
Target
Peptidyl-prolyl cis-trans isomerase FKBP4
Ligand
BDBM50613631
Substrate
n/a
Meas. Tech.
ChEMBL_2292752
Ki
>50000±n/a nM
Citation
 Dunyak, BM; Gestwicki, JE Peptidyl-Proline Isomerases (PPIases): Targets for Natural Products and Natural Product-Inspired Compounds. J Med Chem 59:9622-9644 (2016) [PubMed] 
Target
Name:
Peptidyl-prolyl cis-trans isomerase FKBP4
Synonyms:
FK506 binding protein 4 | FKBP4 | FKBP4_HUMAN | FKBP52
Type:
PROTEIN
Mol. Mass.:
51793.87
Organism:
Homo sapiens (Human)
Description:
ChEMBL_154482
Residue:
459
Sequence:
MTAEEMKATESGAQSAPLPMEGVDISPKQDEGVLKVIKREGTGTEMPMIGDRVFVHYTGWLLDGTKFDSSLDRKDKFSFDLGKGEVIKAWDIAIATMKVGEVCHITCKPEYAYGSAGSPPKIPPNATLVFEVELFEFKGEDLTEEEDGGIIRRIQTRGEGYAKPNEGAIVEVALEGYYKDKLFDQRELRFEIGEGENLDLPYGLERAIQRMEKGEHSIVYLKPSYAFGSVGKEKFQIPPNAELKYELHLKSFEKAKESWEMNSEEKLEQSTIVKERGTVYFKEGKYKQALLQYKKIVSWLEYESSFSNEEAQKAQALRLASHLNLAMCHLKLQAFSAAIESCNKALELDSNNEKGLFRRGEAHLAVNDFELARADFQKVLQLYPNNKAAKTQLAVCQQRIRRQLAREKKLYANMFERLAEEENKAKAEASSGDHPTDTEMKEEQKSNTAGSQSQVETEA
  
Inhibitor
Name:
BDBM50613631
Synonyms:
CHEMBL5281156
Type:
Small organic molecule
Emp. Form.:
C47H64N2O10
Mol. Mass.:
817.0185
SMILES:
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC2CCCCC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r|
Structure:
Search PDB for entries with ligand similarity: