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Target
Peptidyl-prolyl cis-trans isomerase FKBP5
Ligand
BDBM50088378
Substrate
n/a
Meas. Tech.
SPR Assay to Determine Binding Affinity to FK506-Binding Proteins (FKBP)
Kd
811±n/a nM
Citation
 Bonazzi, S; Connolly, M; Glass, DJ; Mihalic, M; Patterson, AW; Roggo, S; Shavlakadze, T Rapamycin derivatives US Patent  US12091424 Publication Date 9/17/2024 
Target
Name:
Peptidyl-prolyl cis-trans isomerase FKBP5
Synonyms:
51 kDa FK506-binding protein | 51 kDa FKBP | 54 kDa progesterone receptor-associated immunophilin | Androgen-regulated protein 6 | FF1 antigen | FK506-binding protein 5 | FKBP-5 | FKBP-51 | FKBP54 | HSP90-binding immunophilin | PPIase FKBP5 | Rotamase | p54 | FKBP5_HUMAN | FKBP5 | AIG6 | FKBP51
Type:
PROTEIN
Mol. Mass.:
51207.06
Organism:
Human
Description:
ChEMBL_952910
Residue:
457
Sequence:
MTTDEGAKNNEESPTATVAEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEICHLLCKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGEDLFEDGGIIRRTKRKGEGYSNPNEGATVEIHLEGRCGGRMFDCRDVAFTVGEGEDHDIPIGIDKALEKMQREEQCILYLGPRYGFGEAGKPKFGIEPNAELIYEVTLKSFEKAKESWEMDTKEKLEQAAIVKEKGTVYFKGGKYMQAVIQYGKIVSWLEMEYGLSEKESKASESFLLAAFLNLAMCYLKLREYTKAVECCDKALGLDSANEKGLYRRGEAQLLMNEFESAKGDFEKVLEVNPQNKAARLQISMCQKKAKEHNERDRRIYANMFKKFAEQDAKEEANKAMGKKTSEGVTNEKGTDSQAMEEEKPEGHV
  
Inhibitor
Name:
BDBM50088378
Synonyms:
CHEBI:68478 | Afinitor | Afinitor Disperz | Everolimus | RAD001 | Zortress | US12091424, Example RAD001
Type:
Small organic molecule
Emp. Form.:
C53H83NO14
Mol. Mass.:
957.58
SMILES:
[H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@]([H])(CC(=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](C2)OC)[C@H](C)C[C@@H]1CC[C@@H](OCCO)[C@@H](C1)OC |r,c:32,51,t:47,49|
Structure:
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