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Target
Peptidyl-prolyl cis-trans isomerase FKBP5
Ligand
BDBM50519824
Substrate
n/a
Meas. Tech.
ChEMBL_1878502 (CHEMBL4379896)
Ki
8200±n/a nM
Citation
 Feng, X; Sippel, C; Knaup, FH; Bracher, A; Staibano, S; Romano, MF; Hausch, F A Novel Decalin-Based Bicyclic Scaffold for FKBP51-Selective Ligands. J Med Chem 63:231-240 (2020) [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:
BDBM50519824
Synonyms:
CHEMBL4569981
Type:
Small organic molecule
Emp. Form.:
C43H60N2O9
Mol. Mass.:
748.9445
SMILES:
[H][C@@]12C[C@@H](C(=O)N3CCCC[C@H]3C(=O)O[C@H](CCc3ccc(OC)c(OC)c3)c3cccc(OCCN4CCOCC4)c3)[C@]3([H])CCCC[C@@]3([H])[C@]1([H])OC(C)(C)O2 |r|
Structure:
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