Reaction Details  Report a problem with these data
Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM257523
Substrate
n/a
Meas. Tech.
PPlase Assay
Ki
45±4.1 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:
BDBM257523
Synonyms:
US9505773, 18
Type:
Small organic molecule
Emp. Form.:
C46H73NO9
Mol. Mass.:
784.0731
SMILES:
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@](O)(CC(=O)N3CCCC[C@H]3C(=O)OC(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)O2 |r,wU:19.19,9.9,7.7,51.53,33.34,28.29,wD:4.58,36.37,48.49,45.47,2.1,c:26,t:39,41,43,(-.77,-3.25,;-2.1,-4.02,;-2.1,-5.56,;-3.44,-6.33,;-4.77,-5.56,;-6.1,-6.33,;-7.44,-5.56,;-7.44,-4.02,;-8.77,-3.25,;-6.1,-3.25,;-7.44,-2.48,;-6.1,-1.71,;-4.77,-.94,;-3.44,-1.71,;-4.77,.6,;-6.1,1.37,;-6.1,2.91,;-4.77,3.68,;-3.44,2.91,;-3.44,1.37,;-2.1,.6,;-2.1,-.94,;-.77,1.37,;-.77,2.91,;3.92,3.18,;5.26,2.41,;5.26,.87,;3.92,.1,;6.59,.1,;7.92,.87,;6.59,-1.44,;7.92,-2.21,;9.26,-1.44,;7.92,-3.75,;6.44,-4.15,;8.32,-5.24,;7.23,-6.33,;7.64,-7.84,;5.9,-5.56,;4.57,-6.33,;3.23,-5.56,;1.9,-6.33,;.56,-5.56,;-.77,-6.33,;-.77,-7.87,;-2.1,3.68,;-3.59,4.08,;-2.1,5.22,;-1.33,6.55,;.21,6.55,;.98,7.89,;.21,9.22,;.98,10.56,;-1.33,9.22,;-2.1,7.89,;-4.77,-4.02,)|
Structure:
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