Reaction Details  Report a problem with these data
Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM50561717
Substrate
n/a
Meas. Tech.
ChEMBL_2075783 (CHEMBL4731317)
IC50
40±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:
BDBM50561717
Synonyms:
CHEMBL4744653
Type:
Small organic molecule
Emp. Form.:
C31H42N2O6
Mol. Mass.:
538.675
SMILES:
CCC(=O)NCC(C)(C)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1ccccc1 |r|
Structure:
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