Reaction Details Report a problem with these data
Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM50228106
Substrate
n/a
Meas. Tech.
ChEMBL_452413 (CHEMBL902649)
Kd
426000±n/a nM
Citation
 Stebbins, JL; Zhang, Z; Chen, J; Wu, B; Emdadi, A; Williams, ME; Cashman, J; Pellecchia, M Nuclear magnetic resonance fragment-based identification of novel FKBP12 inhibitors. J Med Chem 50:6607-17 (2007) [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:
BDBM50228106
Synonyms:
4-(2-(4-isopropylphenylthio)acetyl)morpholine-3-carboxylic acid | CHEMBL235103
Type:
Small organic molecule
Emp. Form.:
C16H21NO4S
Mol. Mass.:
323.407
SMILES:
CC(C)c1ccc(SCC(=O)N2CCOCC2C(O)=O)cc1 |w:16.17|
Structure:
Search PDB for entries with ligand similarity: