Reaction Details Report a problem with these data
Target
Anoctamin-1
Ligand
BDBM50503445
Substrate
n/a
Meas. Tech.
ChEMBL_1810966 (CHEMBL4310426)
IC50
22±n/a nM
Citation
 Seo, Y; Kim, J; Chang, J; Kim, SS; Namkung, W; Kim, I Synthesis and biological evaluation of novel Ani9 derivatives as potent and selective ANO1 inhibitors. Eur J Med Chem 160:245-255 (2018) [PubMed]  Article 
Target
Name:
Anoctamin-1
Synonyms:
ANO1 | ANO1_HUMAN | DOG1 | Discovered on gastrointestinal stromal tumors protein 1 | ORAOV2 | Oral cancer overexpressed protein 2 | TAOS2 | TMEM16A | Transmembrane protein 16A | Tumor-amplified and overexpressed sequence 2
Type:
PROTEIN
Mol. Mass.:
114103.63
Organism:
Homo sapiens (Human)
Description:
ChEMBL_828184
Residue:
986
Sequence:
MRVNEKYSTLPAEDRSVHIINICAIEDIGYLPSEGTLLNSLSVDPDAECKYGLYFRDGRRKVDYILVYHHKRPSGNRTLVRRVQHSDTPSGARSVKQDHPLPGKGASLDAGSGEPPMDYHEDDKRFRREEYEGNLLEAGLELERDEDTKIHGVGFVKIHAPWNVLCREAEFLKLKMPTKKMYHINETRGLLKKINSVLQKITDPIQPKVAEHRPQTMKRLSYPFSREKQHLFDLSDKDSFFDSKTRSTIVYEILKRTTCTKAKYSMGITSLLANGVYAAAYPLHDGDYNGENVEFNDRKLLYEEWARYGVFYKYQPIDLVRKYFGEKIGLYFAWLGVYTQMLIPASIVGIIVFLYGCATMDENIPSMEMCDQRHNITMCPLCDKTCSYWKMSSACATARASHLFDNPATVFFSVFMALWAATFMEHWKRKQMRLNYRWDLTGFEEEEEAVKDHPRAEYEARVLEKSLKKESRNKEKRRHIPEESTNKWKQRVKTAMAGVKLTDKVKLTWRDRFPAYLTNLVSIIFMIAVTFAIVLGVIIYRISMAAALAMNSSPSVRSNIRVTVTATAVIINLVVIILLDEVYGCIARWLTKIEVPKTEKSFEERLIFKAFLLKFVNSYTPIFYVAFFKGRFVGRPGDYVYIFRSFRMEECAPGGCLMELCIQLSIIMLGKQLIQNNLFEIGIPKMKKLIRYLKLKQQSPPDHEECVKRKQRYEVDYNLEPFAGLTPEYMEMIIQFGFVTLFVASFPLAPLFALLNNIIEIRLDAKKFVTELRRPVAVRAKDIGIWYNILRGIGKLAVIINAFVISFTSDFIPRLVYLYMYSKNGTMHGFVNHTLSSFNVSDFQNGTAPNDPLDLGYEVQICRYKDYREPPWSENKYDISKDFWAVLAARLAFVIVFQNLVMFMSDFVDWVIPDIPKDISQQIHKEKVLMVELFMREEQDKQQLLETWMEKERQKDEPPCNHHNTKACPDSLGSPAPSHAYHGGVL
  
Inhibitor
Name:
BDBM50503445
Synonyms:
CHEMBL4445544 | US11274074, Example 1 [Chemical Formula 5]
Type:
Small organic molecule
Emp. Form.:
C17H14ClF3N2O3
Mol. Mass.:
386.753
SMILES:
Cc1cc(Cl)ccc1OCC(=O)N\N=C\c1ccccc1OC(F)(F)F
Structure:
Search PDB for entries with ligand similarity: