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Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM50079778
Substrate
n/a
Meas. Tech.
ChEBML_66269
EC50
7.5±n/a nM
Citation
 Armstrong, HM; Wong, F; Holmes, MA; Sinclair, PJ; Goulet, MT; Dumont, FJ; Staruch, MJ; Koprak, S; Peterson, LB; Rosa, R; Wilusz, MB; Wiederrecht, GJ; Cryan, JG; Wyvratt, MJ; Parsons, WH Potent immunosuppressive C32-O-arylethyl ether derivatives of ascomycin with reduced toxicity. Bioorg Med Chem Lett 9:2089-94 (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:
BDBM50079778
Synonyms:
12-(2-{4-[2-(3,4-Difluoro-phenyl)-2-hydroxy-ethoxy]-3-methoxy-cyclohexyl}-1-methyl-vinyl)-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-aza-tricyclo[22.3.1.0*4,9*]octacos-18-ene-2,3,10,16-tetraone | CHEMBL65863
Type:
Small organic molecule
Emp. Form.:
C51H75F2NO13
Mol. Mass.:
948.1369
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\C1CC[C@@H](OC[C@@H](O)c2ccc(F)c(F)c2)[C@@H](C1)OC |c:3|
Structure:
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