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Target
Peptidyl-prolyl cis-trans isomerase A
Ligand
BDBM139995
Substrate
n/a
Meas. Tech.
ChEMBL_2015049 (CHEMBL4668627)
IC50
13100±n/a nM
Citation
 Bancet, A; Raingeval, C; Lomberget, T; Le Borgne, M; Guichou, JF; Krimm, I Fragment Linking Strategies for Structure-Based Drug Design. J Med Chem 63:11420-11435 (2020) [PubMed]  Article
Target
Name:
Peptidyl-prolyl cis-trans isomerase A
Synonyms:
CYPA | CYPA PPIase | Cyclophilin A | Cyclosporin A-binding protein | PPIA | PPIA_HUMAN | PPIase A | Peptidyl-prolyl cis-trans isomerase A | Rotamase A
Type:
Protein
Mol. Mass.:
18015.32
Organism:
Homo sapiens (Human)
Description:
P62937
Residue:
165
Sequence:
MVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE
  
Inhibitor
Name:
BDBM139995
Synonyms:
US8901295, F428
Type:
Small organic molecule
Emp. Form.:
C12H17N3O3
Mol. Mass.:
251.2817
SMILES:
CCOC(=O)CNC(=O)NCc1ccc(N)cc1
Structure:
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