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Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM257522
Substrate
n/a
Meas. Tech.
PPlase Assay
Ki
460±34 nM
Citation
 Gregory, MA; Kendrew, SG; Moss, SJ; Wilkinson, B Rapamycin analogues and their pharmaceutical use US Patent  US9505773 Publication Date 11/29/2016 
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:
BDBM257522
Synonyms:
US9505773, 16
Type:
Small organic molecule
Emp. Form.:
C35H51NO8
Mol. Mass.:
613.7813
SMILES:
C[C@@H]1CC[C@H]2C[C@H](O)\C(C)=C\C=C\C=C\[C@@H](C)C[C@@H](C)C(=O)C3CCC(CC3)OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]1(O)O2 |r,wU:31.37,18.18,1.0,41.44,wD:4.46,6.6,15.15,t:9,11,13,(-8.73,-1.15,;-7.4,-1.93,;-7.4,-3.47,;-6.07,-4.23,;-4.73,-3.47,;-3.4,-4.23,;-2.07,-3.47,;-2.07,-1.93,;-.73,-4.23,;-.73,-5.78,;.6,-3.47,;1.93,-4.23,;3.27,-3.47,;4.6,-4.23,;5.94,-3.47,;7.4,-3.94,;8.17,-5.27,;8.31,-2.69,;7.4,-1.45,;5.94,-1.93,;7.4,.09,;8.73,.86,;4.63,2.18,;3.86,.84,;2.32,.84,;1.55,2.18,;2.32,3.51,;3.86,3.51,;-.73,3.47,;-2.07,2.69,;-2.07,1.15,;-3.4,3.47,;-3.4,5,;-4.73,5.78,;-6.07,5,;-6.07,3.47,;-4.73,2.69,;-4.73,1.15,;-3.4,.38,;-6.07,.38,;-7.4,1.15,;-6.07,-1.15,;-7.4,-.38,;-4.73,-1.93,)|
Structure:
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