Reaction Details Report a problem with these data
Target
Anoctamin-1
Ligand
BDBM50594059
Substrate
n/a
Meas. Tech.
ChEMBL_2210778 (CHEMBL5123727)
IC50
270±n/a nM
Citation
 Wang, Y; Hu, X; Huang, H; Jin, Z; Gao, J; Guo, Y; Zhong, Y; Li, Z; Zong, X; Wang, K; Zhang, L; Liu, Z Optimization of 4-arylthiophene-3-carboxylic acid derivatives as inhibitors of ANO1: Lead optimization studies toward their analgesic efficacy for inflammatory pain. Eur J Med Chem 237:0 (2022) [PubMed] 
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:
BDBM50594059
Synonyms:
CHEMBL5186589
Type:
Small organic molecule
Emp. Form.:
C18H10Cl3NO3S
Mol. Mass.:
426.701
SMILES:
OC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)scc1-c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: