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Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM257526
Substrate
n/a
Meas. Tech.
PPlase Assay
Ki
95±7.2 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:
BDBM257526
Synonyms:
US9505773, 21
Type:
Small organic molecule
Emp. Form.:
C46H71NO10
Mol. Mass.:
798.0566
SMILES:
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CC(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C1/C)C(C)=CC[C@H](O)[C@H](C)C[C@H]1CC[C@H](O)CC1 |r,wU:21.22,9.9,7.7,29.31,53.56,wD:4.11,32.34,50.52,47.50,2.1,25.43,45.48,t:36,38,40,(-.62,-3.93,;-1.95,-4.7,;-1.95,-6.24,;-3.29,-7.01,;-4.62,-6.24,;-5.95,-7.01,;-7.29,-6.24,;-7.29,-4.7,;-8.62,-3.93,;-5.95,-3.93,;-7.29,-3.16,;-4.62,-4.7,;-5.95,-2.39,;-7.29,-1.62,;-4.62,-1.62,;-3.29,-2.39,;-4.62,-.08,;-5.95,.69,;-5.95,2.23,;-4.62,3,;-3.29,2.23,;-3.29,.69,;-1.95,-.08,;-1.95,-1.62,;4.07,-.58,;5.41,.19,;5.41,-1.35,;8.07,-2.89,;9.41,-2.12,;8.07,-4.43,;6.59,-4.83,;8.47,-5.92,;7.38,-7.01,;7.79,-8.52,;6.05,-6.24,;4.72,-7.01,;3.38,-6.24,;2.05,-7.01,;.72,-6.24,;-.62,-7.01,;-.62,-8.55,;1.96,1.38,;4.48,2.15,;1.96,2.92,;.63,3.69,;-.46,2.6,;.63,1.51,;-1.95,3,;-3.29,3.77,;-1.95,4.54,;-.86,5.63,;.62,5.23,;1.71,6.32,;1.32,7.81,;2.4,8.9,;-.17,8.21,;-1.26,7.12,)|
Structure:
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