Reaction Details Report a problem with these data
Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM50162685
Substrate
n/a
Meas. Tech.
ChEMBL_1570258 (CHEMBL3795200)
Ki
4300±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 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:
BDBM50162685
Synonyms:
CHEMBL3792510
Type:
Small organic molecule
Emp. Form.:
C30H45N3O6
Mol. Mass.:
543.6948
SMILES:
COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCCCC1)C(N)=O |r|
Structure:
Search PDB for entries with ligand similarity: