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Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM513996
Substrate
n/a
Meas. Tech.
Binding of Compounds to FKBP12
Kd
0.510±n/a nM
Citation
 Verdine, GL; Bowman, BR; Sowa, ME; Blodgett, JA; Robison, KE; Stiles, DT; Morgenstern, JP; Townson, SA; Shigdel, UK Compounds that participate in cooperative binding and uses thereof US Patent  US11059830 Publication Date 7/13/2021 
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:
BDBM513996
Synonyms:
(2S)-1-((4R,7S)-7-((2R,3S,4R,11 S,12R)-12-benzyl-3,11-dihydroxy-4-methyltetradecan-2-yl)-2-hydroxy-4-methyl-3-oxooxepane-2-carbonyl)piperidine-2-carboxylic acid C-11 lactone | US11059830, Compound 6
Type:
Small organic molecule
Emp. Form.:
C36H55NO7
Mol. Mass.:
613.8244
SMILES:
CC[C@H](Cc1ccccc1)[C@@H]1CCCCCC[C@@H](C)[C@H](O)[C@@H](C)[C@@H]2CC[C@@H](C)C(=O)C(O)(O2)C(=O)N2CCCC[C@H]2C(=O)O1 |r|
Structure:
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