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Target
Peptidyl-prolyl cis-trans isomerase FKBP4
Ligand
BDBM50575658
Substrate
n/a
Meas. Tech.
ChEMBL_2125779 (CHEMBL4835124)
Kd
>10000±n/a nM
Citation
 Bauder, M; Meyners, C; Purder, PL; Merz, S; Sugiarto, WO; Voll, AM; Heymann, T; Hausch, F Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors. J Med Chem 64:3320-3349 (2021) [PubMed]  Article 
Target
Name:
Peptidyl-prolyl cis-trans isomerase FKBP4
Synonyms:
FK506 binding protein 4 | FKBP4 | FKBP4_HUMAN | FKBP52
Type:
PROTEIN
Mol. Mass.:
51793.87
Organism:
Human
Description:
ChEMBL_154482
Residue:
459
Sequence:
MTAEEMKATESGAQSAPLPMEGVDISPKQDEGVLKVIKREGTGTEMPMIGDRVFVHYTGWLLDGTKFDSSLDRKDKFSFDLGKGEVIKAWDIAIATMKVGEVCHITCKPEYAYGSAGSPPKIPPNATLVFEVELFEFKGEDLTEEEDGGIIRRIQTRGEGYAKPNEGAIVEVALEGYYKDKLFDQRELRFEIGEGENLDLPYGLERAIQRMEKGEHSIVYLKPSYAFGSVGKEKFQIPPNAELKYELHLKSFEKAKESWEMNSEEKLEQSTIVKERGTVYFKEGKYKQALLQYKKIVSWLEYESSFSNEEAQKAQALRLASHLNLAMCHLKLQAFSAAIESCNKALELDSNNEKGLFRRGEAHLAVNDFELARADFQKVLQLYPNNKAAKTQLAVCQQRIRRQLAREKKLYANMFERLAEEENKAKAEASSGDHPTDTEMKEEQKSNTAGSQSQVETEA
  
Inhibitor
Name:
BDBM50575658
Synonyms:
CHEMBL4860544
Type:
Small organic molecule
Emp. Form.:
C45H57NO10
Mol. Mass.:
771.9348
SMILES:
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OCCOC\C=C/COc4cccc2c4)c(OC)c3)cc1OC |r,c:40|
Structure:
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