Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetPeptidyl-prolyl cis-trans isomerase FKBP5
LigandBDBM50125333
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1570260 (CHEMBL3795202)
Ki 4.0±n/a nM
Citation Gaali, SFeng, XHähle, ASippel, CBracher, AHausch, F Rapid, Structure-Based Exploration of Pipecolic Acid Amides as Novel Selective Antagonists of the FK506-Binding Protein 51. J Med Chem59:2410-22 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Peptidyl-prolyl cis-trans isomerase FKBP5
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:
MTTDEGAKNNEESPTATVAEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGK
LSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEICHLLCKPEYAYGSAGSLP
KIPSNATLFFEIELLDFKGEDLFEDGGIIRRTKRKGEGYSNPNEGATVEIHLEGRCGGRM
FDCRDVAFTVGEGEDHDIPIGIDKALEKMQREEQCILYLGPRYGFGEAGKPKFGIEPNAE
LIYEVTLKSFEKAKESWEMDTKEKLEQAAIVKEKGTVYFKGGKYMQAVIQYGKIVSWLEM
EYGLSEKESKASESFLLAAFLNLAMCYLKLREYTKAVECCDKALGLDSANEKGLYRRGEA
QLLMNEFESAKGDFEKVLEVNPQNKAARLQISMCQKKAKEHNERDRRIYANMFKKFAEQD
AKEEANKAMGKKTSEGVTNEKGTDSQAMEEEKPEGHV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50125333
n/a
NameBDBM50125333
Synonyms:CHEMBL3623612
TypeSmall organic molecule
Emp. Form.C42H53NO11
Mol. Mass.747.8703
SMILESCOc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(O)=O)c2)cc1OC |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: