Reaction Details Report a problem with these data
Target
Peptidyl-prolyl cis-trans isomerase A
Ligand
BDBM93263
Substrate
n/a
Meas. Tech.
Surface Plasmon Resonance Assay
pH
7.4±0
Temperature
298.15±0 K
Kd
3.08e+4±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:
BDBM93263
Synonyms:
CypA Inhibitor, 4d
Type:
Small molecule
Emp. Form.:
C29H22N6O5S
Mol. Mass.:
566.587
SMILES:
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc(-c5ccco5)c(nc4c3)-c3ccco3)cc2)n1
Structure:
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