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Target
Peptidyl-prolyl cis-trans isomerase A
Ligand
BDBM50500613
Substrate
n/a
Meas. Tech.
ChEMBL_1548484 (CHEMBL3756831)
Kd
1.8±n/a nM
Citation
 Yang, S; K R, J; Lim, S; Choi, TG; Kim, JH; Akter, S; Jang, M; Ahn, HJ; Kim, HY; Windisch, MP; Khadka, DB; Zhao, C; Jin, Y; Kang, I; Ha, J; Oh, BC; Kim, M; Kim, SS; Cho, WJ Structure-Based Discovery of Novel Cyclophilin A Inhibitors for the Treatment of Hepatitis C Virus Infections. J Med Chem 58:9546-61 (2015) [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:
BDBM50500613
Synonyms:
CHEMBL3752642
Type:
Small organic molecule
Emp. Form.:
C36H43N3O5
Mol. Mass.:
597.7437
SMILES:
COc1cc(cc(OC)c1OC)C(N(C(=O)Cc1c[nH]c2ccccc12)c1ccc(cc1)C(C)C)C(=O)NC1CCCCC1
Structure:
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