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Target
Peptidyl-prolyl cis-trans isomerase A
Ligand
BDBM50295459
Substrate
n/a
Meas. Tech.
ChEMBL_578851 (CHEMBL1056315)
IC50
>10000±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:
BDBM50295459
Synonyms:
1-(2,6-Dihydroxybenzoyl)-3-(3-chloro-4-fluorophenyl)-urea | CHEMBL556893
Type:
Small organic molecule
Emp. Form.:
C14H10ClFN2O4
Mol. Mass.:
324.692
SMILES:
Oc1cccc(O)c1C(=O)NC(=O)Nc1ccc(F)c(Cl)c1
Structure:
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