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Target
Peptidyl-prolyl cis-trans isomerase FKBP5
Ligand
BDBM50030448
Substrate
n/a
Meas. Tech.
ChEMBL_1570260 (CHEMBL3795202)
Ki
79±n/a nM
Citation
 Gaali, S; Feng, X; Hähle, A; Sippel, C; Bracher, A; Hausch, F Rapid, Structure-Based Exploration of Pipecolic Acid Amides as Novel Selective Antagonists of the FK506-Binding Protein 51. J Med Chem 59:2410-22 (2016) [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:
BDBM50030448
Synonyms:
8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN | CHEMBL269732 | TACROLIMUS
Type:
Small organic molecule
Emp. Form.:
C44H69NO12
Mol. Mass.:
804.0182
SMILES:
CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC |r,t:45|
Structure:
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