Reaction Details Report a problem with these data
Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM50606717
Substrate
n/a
Meas. Tech.
ChEMBL_2261184 (CHEMBL5216195)
Ki
3.9±n/a nM
Citation
 Oleksak, P; Nepovimova, E; Chrienova, Z; Musilek, K; Patocka, J; Kuca, K Contemporary mTOR inhibitor scaffolds to diseases breakdown: A patent review (2015-2021). Eur J Med Chem 238:0 (2022) [PubMed] 
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:
BDBM50606717
Synonyms:
CHEMBL5218737
Type:
Small organic molecule
Emp. Form.:
C51H77NO12
Mol. Mass.:
896.1566
SMILES:
[H][C@]12C[C@@H](C[C@@H](C)C3CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C[C@]4([H])CC[C@@H](C)[C@@](O)(O4)C(=O)C(=O)N4CCCC[C@H]4C(=O)O3)OC)[C@]([H])(C[C@H]1O)C2 |r,c:13,32,t:28,30|
Structure:
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