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Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM50287767
Substrate
n/a
Meas. Tech.
ChEBML_66289
IC50
2.8±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:
BDBM50287767
Synonyms:
17-ethyl-1,14,20-trihydroxy-22,24-dimethoxy-12-[2-[3-methoxy-4-(1-methyl-1H-5-indolyloxy)cyclohexyl]-1-methyl-(E)-1-ethenyl]-13,19,21,26-tetramethyl-(21S,22S)-11,27-dioxa-4-azatricyclo[21.3.1.04,9]heptacos-18-ene-2,3,10,16-tetraone | CHEMBL303180
Type:
Small organic molecule
Emp. Form.:
C51H74N2O13
Mol. Mass.:
923.1389
SMILES:
CC[C@@H]1\C=C(C)\[C@@H](O)[C@H](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](Oc2ccc3n(C)ccc3c2)[C@@H](C1)OC |c:3|
Structure:
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