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Target
Peptidyl-prolyl cis-trans isomerase A
Ligand
BDBM93260
Substrate
n/a
Meas. Tech.
Surface Plasmon Resonance Assay
pH
7.4±0
Temperature
298.15±0 K
IC50
2.5e+2±n/a nM
Kd
8.19e+3±n/a nM
Citation
 Li, J; Zhang, J; Chen, J; Luo, X; Zhu, W; Shen, J; Liu, H; Shen, X; Jiang, H Strategy for discovering chemical inhibitors of human cyclophilin a: focused library design, virtual screening, chemical synthesis and bioassay. J Comb Chem 8:326-37 (2006) [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:
BDBM93260
Synonyms:
CypA Inhibitor, 4a
Type:
Small molecule
Emp. Form.:
C32H24N4O5
Mol. Mass.:
544.5568
SMILES:
COC(=O)c1cc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)ccc1NCc1ccccc1
Structure:
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