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Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM257527
Substrate
n/a
Meas. Tech.
PPlase Assay
Ki
12±0.97 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:
BDBM257527
Synonyms:
US9505773, 22
Type:
Small organic molecule
Emp. Form.:
C46H71NO11
Mol. Mass.:
814.056
SMILES:
CO[C@@H](C[C@H]1CC[C@H](C)[C@](O)(O1)C(=O)C(=O)N1CCCC[C@@H]1C(=O)O[C@H](C\C=C(/C)C=O)[C@@H](C)C[C@H]1CC[C@H](O)CC1)C(\C)=C\C=C\C=C\[C@H](C)C[C@@H](C)C(=O)CO |r,wU:21.23,9.9,7.7,52.55,38.40,wD:9.12,4.3,49.52,35.36,32.34,25.26,2.1,(-4.06,6.54,;-4.06,5,;-2.73,4.23,;-2.73,2.69,;-4.06,1.92,;-5.4,2.69,;-6.73,1.92,;-6.73,.38,;-8.06,-.39,;-5.4,-.39,;-4.41,-1.57,;-4.06,.38,;-6.38,-1.57,;-7.9,-1.3,;-5.86,-3.02,;-4.34,-3.29,;-6.85,-4.2,;-8.36,-3.93,;-9.35,-5.11,;-8.83,-6.56,;-7.31,-6.82,;-6.32,-5.64,;-4.8,-5.91,;-3.81,-4.73,;-4.28,-7.36,;-2.76,-7.63,;-1.77,-6.45,;-.25,-6.71,;.73,-5.53,;.21,-4.09,;2.25,-5.8,;3.24,-4.62,;-2.23,-9.07,;-3.22,-10.25,;-.72,-9.34,;-.19,-10.79,;-1.18,-11.97,;-.65,-13.42,;.86,-13.68,;1.39,-15.13,;1.85,-12.5,;1.33,-11.06,;-1.39,5,;-1.39,6.54,;-.06,4.23,;1.27,5,;2.61,4.23,;3.94,5,;5.27,4.23,;6.61,5,;6.61,6.54,;7.94,4.23,;9.28,5,;9.28,6.54,;10.61,4.23,;10.61,2.69,;11.94,5,;13.28,4.23,)|
Structure:
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