Reaction Details Report a problem with these data
Target
Gap junction alpha-1 protein
Ligand
BDBM50565235
Substrate
n/a
Meas. Tech.
ChEMBL_2091060 (CHEMBL4772323)
IC50
5500±n/a nM
Citation
 Subedi, YP; Kjellgren, A; Roberts, P; Montgomery, H; Thackeray, N; Fiori, MC; Altenberg, GA; Chang, CT Amphiphilic aminoglycosides with increased selectivity for inhibition of connexin 43 (Cx43) hemichannels. Eur J Med Chem 203:0 (2020) [PubMed]  Article 
Target
Name:
Gap junction alpha-1 protein
Synonyms:
CXA1_HUMAN | Connexin-43 | Cx43 | GJA1 | GJAL | Gap junction 43 kDa heart protein | Gap junction alpha-1 protein
Type:
PROTEIN
Mol. Mass.:
43020.99
Organism:
Homo sapiens
Description:
ChEMBL_120092
Residue:
382
Sequence:
MGDWSALGKLLDKVQAYSTAGGKVWLSVLFIFRILLLGTAVESAWGDEQSAFRCNTQQPGCENVCYDKSFPISHVRFWVLQIIFVSVPTLLYLAHVFYVMRKEEKLNKKEEELKVAQTDGVNVDMHLKQIEIKKFKYGIEEHGKVKMRGGLLRTYIISILFKSIFEVAFLLIQWYIYGFSLSAVYTCKRDPCPHQVDCFLSRPTEKTIFIIFMLVVSLVSLALNIIELFYVFFKGVKDRVKGKSDPYHATSGALSPAKDCGSQKYAYFNGCSSPTAPLSPMSPPGYKLVTGDRNNSSCRNYNKQASEQNWANYSAEQNRMGQAGSTISNSHAQPFDFPDDNQNSKKLAAGHELQPLAIVDQRPSSRASSRASSRPRPDDLEI
  
Inhibitor
Name:
BDBM50565235
Synonyms:
CHEMBL4778380
Type:
Small organic molecule
Emp. Form.:
C44H56N4O11
Mol. Mass.:
816.9356
SMILES:
[H][C@]1(O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)O[C@H](COCc2cccc(c2)-c2ccccc2)[C@@H](OCc2cccc(c2)-c2ccccc2)[C@H](N)[C@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: