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Target
Peptidyl-prolyl cis-trans isomerase A
Ligand
BDBM50295474
Substrate
n/a
Meas. Tech.
ChEMBL_578851 (CHEMBL1056315)
IC50
12.1±n/a nM
Citation
 Ni, S; Yuan, Y; Huang, J; Mao, X; Lv, M; Zhu, J; Shen, X; Pei, J; Lai, L; Jiang, H; Li, J Discovering potent small molecule inhibitors of cyclophilin A using de novo drug design approach. J Med Chem 52:5295-8 (2009) [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:
BDBM50295474
Synonyms:
1-(2-Benzyloxybenzoyl)-3-(9H-fluoren-9-yl)-urea | CHEMBL560115
Type:
Small organic molecule
Emp. Form.:
C28H22N2O3
Mol. Mass.:
434.4859
SMILES:
O=C(NC1c2ccccc2-c2ccccc12)NC(=O)c1ccccc1OCc1ccccc1
Structure:
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