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Target
Peptidyl-prolyl cis-trans isomerase D
Ligand
BDBM50516082
Substrate
n/a
Meas. Tech.
ChEMBL_1863252 (CHEMBL4364108)
IC50
2000±n/a nM
Citation
 Grädler, U; Schwarz, D; Blaesse, M; Leuthner, B; Johnson, TL; Bernard, F; Jiang, X; Marx, A; Gilardone, M; Lemoine, H; Roche, D; Jorand-Lebrun, C Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies. Bioorg Med Chem Lett 29:0 (2019) [PubMed]  Article 
Target
Name:
Peptidyl-prolyl cis-trans isomerase D
Synonyms:
40 kDa peptidyl-prolyl cis-trans isomerase | CYP-40 | CYP40 | CYPD | Cyclophilin D (CypD) | Cyclophilin-40 | Cyclophilin-related protein | PPID | PPID_HUMAN | PPIase D | Peptidyl-prolyl cis-trans isomerase D | Rotamase D
Type:
Protein
Mol. Mass.:
40766.62
Organism:
Homo sapiens (Human)
Description:
Q08752
Residue:
370
Sequence:
MSHPSPQAKPSNPSNPRVFFDVDIGGERVGRIVLELFADIVPKTAENFRALCTGEKGIGHTTGKPLHFKGCPFHRIIKKFMIQGGDFSNQNGTGGESIYGEKFEDENFHYKHDREGLLSMANAGRNTNGSQFFITTVPTPHLDGKHVVFGQVIKGIGVARILENVEVKGEKPAKLCVIAECGELKEGDDGGIFPKDGSGDSHPDFPEDADIDLKDVDKILLITEDLKNIGNTFFKSQNWEMAIKKYAEVLRYVDSSKAVIETADRAKLQPIALSCVLNIGACKLKMSNWQGAIDSCLEALELDPSNTKALYRRAQGWQGLKEYDQALADLKKAQGIAPEDKAIQAELLKVKQKIKAQKDKEKAVYAKMFA
  
Inhibitor
Name:
BDBM50516082
Synonyms:
CHEMBL4464825
Type:
Small organic molecule
Emp. Form.:
C20H27N3O4
Mol. Mass.:
373.4461
SMILES:
[H][C@@]12C[C@@]([H])(OC[C@H]1O)c1cc(CCNC(=O)C(=O)NC3CCCC3)ccc1N2 |r|
Structure:
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