Reaction Details  Report a problem with these data
Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM50561716
Substrate
n/a
Meas. Tech.
ChEMBL_2075783 (CHEMBL4731317)
IC50
23±n/a nM
Citation
 Atack, TC; Raymond, DD; Blomquist, CA; Pasaje, CF; McCarren, PR; Moroco, J; Befekadu, HB; Robinson, FP; Pal, D; Esherick, LY; Ianari, A; Niles, JC; Sellers, WR Targeted Covalent Inhibition of  ACS Med Chem Lett 11:2131-2138 (2020) [PubMed]  Article
Target
Name:
Peptidyl-prolyl cis-trans isomerase FKBP1A
Synonyms:
12 kDa FK506-binding protein | 12 kDa FKBP | FK506-binding protein 1A | FK506-binding protein 1A (FKBP12) | FKB1A_HUMAN | FKBP-12 | FKBP-1A | FKBP1 | FKBP12 | FKBP1A | Immunophilin FKBP12 | PPIase | PPIase FKBP1A | Peptidyl-prolyl cis-trans isomerase (FKBP) | Rotamase | RyR1/FKBP12 | mTOR/FKBP12A/FKBP12B
Type:
Isomerase
Mol. Mass.:
11953.09
Organism:
Homo sapiens (Human)
Description:
P62942
Residue:
108
Sequence:
MGVQVETISPGDGRTFPKRGQTCVVHYTGMLEDGKKFDSSRDRNKPFKFMLGKQEVIRGWEEGVAQMSVGQRAKLTISPDYAYGATGHPGIIPPHATLVFDVELLKLE
  
Inhibitor
Name:
BDBM50561716
Synonyms:
CHEMBL4756691
Type:
Small organic molecule
Emp. Form.:
C31H40N2O6
Mol. Mass.:
536.6591
SMILES:
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(C)(C)CNC(=O)C=C)c2ccccc2)cc1OC |r|
Structure:
Search PDB for entries with ligand similarity: