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Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM50071463
Substrate
n/a
Meas. Tech.
ChEBML_66285
EC50
30±n/a nM
Citation
 Goulet, MT; McAlpine, SR; Staruch, MJ; Koprak, S; Dumont, FJ; Cryan, JG; Wiederrecht, GJ; Rosa, R; Wilusz, MB; Peterson, LB; Wyvratt, MJ; Parsons, WH C32-O-imidazol-2-yl-methyl ether derivatives of the immunosuppressant ascomycin with improved therapeutic potential. Bioorg Med Chem Lett 8:2253-8 (1999) [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:
BDBM50071463
Synonyms:
Ascomycin derivative | C32-O-cinnamyl ether analogue of L-683590 | CHEMBL262667
Type:
Small organic molecule
Emp. Form.:
C52H77NO12
Mol. Mass.:
908.1673
SMILES:
CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OC\C=C\c2ccccc2)[C@@H](C1)OC |c:3|
Structure:
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