Reaction Details Report a problem with these data
Target
Gap junction beta-2 protein
Ligand
BDBM50458724
Substrate
n/a
Meas. Tech.
ChEMBL_1764537 (CHEMBL4199784)
IC50
13000±n/a nM
Citation
AlFindee, MN; Subedi, YP; Fiori, MC; Krishnan, S; Kjellgren, A; Altenberg, GA; Chang, CT Inhibition of Connexin Hemichannels by New Amphiphilic Aminoglycosides without Antibiotic Activity. ACS Med Chem Lett 9:697-701 (2018) [PubMed] Article
More Info.:
Target
Name:
Gap junction beta-2 protein
Synonyms:
CXB2_HUMAN | Connexin-26 | Cx26 | GJB2 | Gap junction beta-2 protein
Type:
PROTEIN
Mol. Mass.:
26226.37
Organism:
Human
Description:
ChEMBL_117983
Residue:
226
Sequence:
MDWGTLQTILGGVNKHSTSIGKIWLTVLFIFRIMILVVAAKEVWGDEQADFVCNTLQPGCKNVCYDHYFPISHIRLWALQLIFVSTPALLVAMHVAYRRHEKKRKFIKGEIKSEFKDIEEIKTQKVRIEGSLWWTYTSSIFFRVIFEAAFMYVFYVMYDGFSMQRLVKCNAWPCPNTVDCFVSRPTEKTVFTVFMIAVSGICILLNVTELCYLLIRYCSGKSKKPV
Inhibitor
Name:
BDBM50458724
Synonyms:
CHEMBL4216863
Type:
Small organic molecule
Emp. Form.:
C34H52N4O13
Mol. Mass.:
724.7957
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](COCc2ccc(OC)cc2)[C@@H](OCc2ccc(OC)cc2)[C@H](N)[C@H]1O |r|