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Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM50284197
Substrate
n/a
Meas. Tech.
ChEBML_66282
EC50
2.7±n/a nM
Citation
 Goulet, MT; Hodkey, DW; Staruch, MJ; Dumont, FJ; Lin, S; Hung, SH; Siekierka, JJ; Wyvratt, MJ Alkyl ether derivatives of the FK-506 related, immunosuppressive macrolide L-683,742 (C31-O-desmethyl ascomycin) Bioorg Med Chem Lett 4:927-930 (1994)    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:
BDBM50284197
Synonyms:
(E)-(9S,12S,13R,14S,17R,21S,23S,24R,25S,27S)-12-[(E)-2-((1R,3R,4R)-3-Allyloxy-4-hydroxy-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 | CHEMBL170544
Type:
Small organic molecule
Emp. Form.:
C45H71NO12
Mol. Mass.:
818.0447
SMILES:
CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(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](O)[C@@H](C1)OCC=C |c:3|
Structure:
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