Reaction Details Report a problem with these data
Target
Peptidyl-prolyl cis-trans isomerase A
Ligand
BDBM93256
Substrate
n/a
Meas. Tech.
Surface Plasmon Resonance Assay
pH
7.4±0
Temperature
298.15±0 K
Kd
76.2±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:
BDBM93256
Synonyms:
CypA Inhibitor, 2a
Type:
Small molecule
Emp. Form.:
C25H24N2O2
Mol. Mass.:
384.4703
SMILES:
CC(C)CCOC(=O)Nc1cc(nc2ccccc12)-c1ccc2ccccc2c1
Structure:
Search PDB for entries with ligand similarity: