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Target
Peptidyl-prolyl cis-trans isomerase FKBP5
Ligand
BDBM50575652
Substrate
n/a
Meas. Tech.
ChEMBL_2125778 (CHEMBL4835123)
Kd
11±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 FKBP5
Synonyms:
51 kDa FK506-binding protein | 51 kDa FKBP | 54 kDa progesterone receptor-associated immunophilin | AIG6 | Androgen-regulated protein 6 | FF1 antigen | FK506-binding protein 5 | FKBP-5 | FKBP-51 | FKBP5 | FKBP51 | FKBP54 | FKBP5_HUMAN | HSP90-binding immunophilin | PPIase FKBP5 | Rotamase | p54
Type:
PROTEIN
Mol. Mass.:
51207.06
Organism:
Homo sapiens (Human)
Description:
ChEMBL_952910
Residue:
457
Sequence:
MTTDEGAKNNEESPTATVAEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEICHLLCKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGEDLFEDGGIIRRTKRKGEGYSNPNEGATVEIHLEGRCGGRMFDCRDVAFTVGEGEDHDIPIGIDKALEKMQREEQCILYLGPRYGFGEAGKPKFGIEPNAELIYEVTLKSFEKAKESWEMDTKEKLEQAAIVKEKGTVYFKGGKYMQAVIQYGKIVSWLEMEYGLSEKESKASESFLLAAFLNLAMCYLKLREYTKAVECCDKALGLDSANEKGLYRRGEAQLLMNEFESAKGDFEKVLEVNPQNKAARLQISMCQKKAKEHNERDRRIYANMFKKFAEQDAKEEANKAMGKKTSEGVTNEKGTDSQAMEEEKPEGHV
  
Inhibitor
Name:
BDBM50575652
Synonyms:
CHEMBL4878890
Type:
Small organic molecule
Emp. Form.:
C43H53NO10
Mol. Mass.:
743.8816
SMILES:
COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OCCC(=O)COc4cccc2c4)c(OC)c3)cc1OC |r|
Structure:
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