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Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM50287770
Substrate
n/a
Meas. Tech.
ChEBML_66289
IC50
0.800000±n/a nM
Citation
 Sinclair, PJ; Wong, F; Staruch, MJ; Wiederrecht, G; Parsons, WH; Dumont, F; Wyvratt, M Preparation and in vitro activities of naphthyl and indolyl ether derivatives of the FK-506 related immunosuppressive macrolide ascomycin Bioorg Med Chem Lett 6:2193-2196 (1996)    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:
BDBM50287770
Synonyms:
17-allyl-1,14-dihydroxy-12-[2-(4-hydroxy-3-methoxycyclohexyl)-1-methyl-(E)-1-ethenyl]-22,24-dimethoxy-13,19,21,26-tetramethyl-11,27-dioxa-4-azatricyclo[21.3.1.04,9]heptacos-18-ene-2,3,10,16-tetraone | CHEMBL68027
Type:
Small organic molecule
Emp. Form.:
C43H67NO12
Mol. Mass.:
789.9916
SMILES:
CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@@H](OC)[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C |t:46|
Structure:
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