Reaction Details Report a problem with these data
Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM257521
Substrate
n/a
Meas. Tech.
PPlase Assay
Ki
6.5±0.66 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:
BDBM257521
Synonyms:
US9505773, 14
Type:
Small organic molecule
Emp. Form.:
C51H79NO12
Mol. Mass.:
898.1725
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)CC(=O)[C@H](C)\C=C(C)\[C@@H](O)CC(=O)[C@@H](C)C[C@H](C)\C=C\C=C\C=C1/C)[C@H](C)C[C@H]1CC[C@H](O)CC1 |r,wU:21.22,7.7,9.9,37.39,42.44,60.63,wD:4.11,45.47,25.56,54.57,57.59,32.34,2.1,c:36,t:49,51,53,(-4.64,-8.27,;-3.3,-7.52,;-3.27,-5.98,;-4.67,-6.54,;-6,-5.78,;-7.34,-6.54,;-8.67,-5.78,;-8.67,-4.23,;-10,-3.47,;-7.34,-3.47,;-8.67,-2.69,;-6,-4.23,;-7.34,-1.93,;-8.67,-1.15,;-6,-1.15,;-4.67,-1.93,;-6,.38,;-7.34,1.15,;-7.34,2.69,;-6,3.47,;-4.67,2.69,;-4.67,1.15,;-3.33,.38,;-3.33,-1.15,;-2,1.15,;-2,2.69,;-.67,3.47,;.67,2.69,;.67,1.15,;2,3.47,;3.33,2.69,;3.33,1.15,;4.67,3.47,;4.67,5,;6,2.69,;6,1.15,;4.67,.38,;7.34,.38,;8.67,1.15,;7.34,-1.15,;8.67,-1.93,;10,-1.15,;8.67,-3.47,;7.34,-4.23,;7.34,-5.78,;6,-6.54,;6,-8.08,;4.67,-5.78,;3.33,-6.54,;2,-5.78,;.67,-6.54,;-.67,-5.78,;-2,-6.54,;-2,-8.08,;-3.33,3.47,;-4.67,4.23,;-3.33,5,;-2,5.78,;-.67,5,;.67,5.78,;.67,7.31,;2,8.08,;-.67,8.08,;-2,7.31,)|
Structure:
Search PDB for entries with ligand similarity: