Reaction Details Report a problem with these data
Target
Peptidyl-prolyl cis-trans isomerase A
Ligand
BDBM93252
Substrate
n/a
Meas. Tech.
Surface Plasmon Resonance Assay
pH
7.4±0
Temperature
298.15±0 K
Kd
3.07e+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:
BDBM93252
Synonyms:
CypA Inhibitor, 1b
Type:
Small molecule
Emp. Form.:
C34H33N3O
Mol. Mass.:
499.6453
SMILES:
CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(nc2ccccc12)-c1ccc2ccccc2c1 |r|
Structure:
Search PDB for entries with ligand similarity: