Reaction Details Report a problem with these data
Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM50285470
Substrate
n/a
Meas. Tech.
ChEBML_66415
Kd
>1000±n/a nM
Citation
 Teague, SJ; Cooper, ME; Stocks, MJ Synthesis of FK506-Cyclosporin hybrid macrocycles Bioorg Med Chem Lett 5:2341-2346 (1995)    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:
BDBM50285470
Synonyms:
(9S,11R,19R,20R,23R)-3-Hydroxy-9-methoxy-11,14,19-trimethyl-6-oxo-15-propyl-20-(2-pyridin-3-yl-ethyl)-21-oxa-6lambda*4*-thia-1,14-diaza-bicyclo[21.3.1]heptacosane-2,13,16,22-tetraone | CHEMBL306125
Type:
Small organic molecule
Emp. Form.:
C37H59N3O8S
Mol. Mass.:
705.945
SMILES:
CCCC1N(C)C(=O)C[C@H](C)C[C@@H](CCS(=O)CCC(O)C(=O)N2CCC[C@H](C2)C(=O)O[C@H](CCc2cccnc2)[C@H](C)CCC1=O)OC
Structure:
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