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Target
Peptidyl-prolyl cis-trans isomerase FKBP5
Ligand
BDBM597687
Substrate
n/a
Meas. Tech.
SPR Assay to Determine Binding Affinity to FKBP51
Kd
55±n/a nM
Citation
 Kincaid, J MTORC1 modulators and uses thereof US Patent  US11603377 Publication Date 3/14/2023 
Target
Name:
Peptidyl-prolyl cis-trans isomerase FKBP5
Synonyms:
51 kDa FK506-binding protein | 51 kDa FKBP | 54 kDa progesterone receptor-associated immunophilin | AIG6 | Androgen-regulated protein 6 | FF1 antigen | FK506-binding protein 5 | FKBP-5 | FKBP-51 | FKBP5 | FKBP51 | FKBP54 | FKBP5_HUMAN | HSP90-binding immunophilin | PPIase FKBP5 | Rotamase | p54
Type:
PROTEIN
Mol. Mass.:
51207.06
Organism:
Homo sapiens (Human)
Description:
ChEMBL_952910
Residue:
457
Sequence:
MTTDEGAKNNEESPTATVAEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEICHLLCKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGEDLFEDGGIIRRTKRKGEGYSNPNEGATVEIHLEGRCGGRMFDCRDVAFTVGEGEDHDIPIGIDKALEKMQREEQCILYLGPRYGFGEAGKPKFGIEPNAELIYEVTLKSFEKAKESWEMDTKEKLEQAAIVKEKGTVYFKGGKYMQAVIQYGKIVSWLEMEYGLSEKESKASESFLLAAFLNLAMCYLKLREYTKAVECCDKALGLDSANEKGLYRRGEAQLLMNEFESAKGDFEKVLEVNPQNKAARLQISMCQKKAKEHNERDRRIYANMFKKFAEQDAKEEANKAMGKKTSEGVTNEKGTDSQAMEEEKPEGHV
  
Inhibitor
Name:
BDBM597687
Synonyms:
US11603377, Compound 8
Type:
Small organic molecule
Emp. Form.:
C54H88N2O17S
Mol. Mass.:
1069.345
SMILES:
COCCOCCS(=O)(=O)N[C@@H]1C[C@H]2CC[C@H](C)[C@](O)(O2)C(=O)C(=O)N(C)C(C)C(=O)OC(CC(=O)C(C)\C=C(C)\C(O)C(OC)C(=O)C(C)CC\C=C\C=C\C=C1/C)[C@H](C)C[C@@H]1CC[C@@H](OCCO)[C@@H](C1)OC |r,c:39,t:53,55,57|
Structure:
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