Reaction Details Report a problem with these data
Target
Ion channel NompC
Ligand
BDBM46988
Substrate
n/a
Meas. Tech.
Fluorescence counterscreen assay for TRPML3 agonists: dose response cell-based high-throughput screening assay to identify agonists of the transient receptor potential channel N1 (TRPN1)
EC50
29900±n/a nM
Citation
 PubChem, PC Fluorescence counterscreen assay for TRPML3 agonists: dose response cell-based high-throughput screening assay to identify agonists of the transient receptor potential channel N1 (TRPN1) PubChem Bioassay (2009)[AID] 
Target
Name:
Ion channel NompC
Synonyms:
transient receptor potential cation channel, subfamily N, member 1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
175824.78
Organism:
Danio rerio
Description:
Q7T1G6
Residue:
1614
Sequence:
MSESSCVSGAPQRLVPLALRGEWMALEQKIKTLERGDPDILQCDEESGMSLLMLAVRESRLSVLDRLLELGANPSDKTKDGRSALHIAAAHSKDEIVKLLVRKTDPNSPAGPNDQLPLHYAASRSTGGLAVVQTLLKFSSKDARLTPDKNGCLPLLLAAEAGNVGIVRELLSSQSEPQIRAAKTANGDTALHICCRRRDVEMAKILVEFGANPDSQNDEGQTPLHIAAHEGDENMLKFLYLCKANANISDKMDRSPLHIAAERGHTNVVEILTEKFRSCVLARTKDGNTLLHIASQCGHPTTALSFLRKGVPLHMPNKSGAVCLHAAAKRGHTAVVKALLQKGAHVDAAARDGQTALHIAVENCRPQVVQMLLGFGAHVQLRGGKAQETPLHISARVKEGERAAEMLLKSGAEVNAEQENGETALHVAARHGSLQMIRALIQEGGDPRWRSRVGESPLHVAVRHCHAHVVQEILTFLTNEKSRRDAELCVCEGNQDGETALHLAAELRTDALHQPEEDITIIQILMEHQADITAVTRQTGETPLHYSARVGNTAVLQEMLRNVPTNQIQTAINKHSKNGWSPLLLAADQGHTEVVKILLQNNARVDVFDEEGKAAIHLAAQRGHQDIVDVLLSQKAFVNAKTKQGLTPLHLSAQNGSARLVRLLVENHQASVDALSLRKQTPLHLAAMSGQLDVCSSLLNLRADITATDSRGQTPLHLAAESDHSEVVKLFLRLRPELSTLANEDGSTCTHIAAAKGSVSVIRELLMFNQGGVGTLNHKAHGLCPLHLAAAGGHAEVVKVLLEAGASVTEEDAEGMTAVHLAAKHGHTHILEVLRGSVPLKIQSSKTGFTALHVAASFGQMNFVREILTKVPATIRSEFPTISGKDDIKRQQPLAESGFTPLHLASQSGHESVVRLLLNCPGVQADAETNIQGSSPLHLAAQSGHTAVVGLLLSRSSSLLHQADRRGRSALHLAAAHGHVDMVRVLLGQGAEINHTDMSGWTALHYAAEAGCLEVLLFLVESGASACAECHGGRTPLQYAAQQNHESAVIFLLRREKNTLRLLDDKKFIFNLMVCGRMNDNLSLEELVLHTSAPLDTAVRLSRALTLCALREKERSVDLQAAAHHCELMASDLLSLSASAGGQGAGAGPILRALDHRGLSVLDCLIEGRQKGVVSQPAVQTYLTEVWCGGLQWDSWKILLLFCCLLLCPPLWLLLALPLTHSFNTIPIVKFMSHLVSHIFLLTLFILTIVYPPVSPLSQARLMPSWSECLLLIWLCGMLVSELTFPGERTGLAWIRLLLLGFSAAALLCHLLAVFTQWWPPTHLHCLFARNVLLAVAMTLGFIQLLEFLTFHHLFGPWAIIIRDLIKDLCRFAVILMLFHTAFTLSLTALCQPLYPQEQHNTTTEVTVPGPLNMSVLLFFALFGLTEPDKIPDVDRSPPATAVLAKMVFGVYLVVTFIVLINLLIAMMSDTYQRIQAQSDTEWKFGRAVLIRDMSRKSGIPSPFNLFTNLFYSVKVVCKRAGKMCSSESRDVMNEDEDAEGLSESRSLDLLSQASVSGIRGNKRTQILPEGGQISLAHSGGHVRVENVADWPSVVQQFLSQRRQRDRSTAERDE
  
Inhibitor
Name:
BDBM46988
Synonyms:
2-(4-besyl-1,4-diazepan-1-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid methyl ester | 2-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid methyl ester | MLS000850159 | SMR000456177 | cid_2811317 | methyl 2-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate | methyl 2-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]-4-(trifluoromethyl)-5-pyrimidinecarboxylate | methyl 2-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate
Type:
Small organic molecule
Emp. Form.:
C18H19F3N4O4S
Mol. Mass.:
444.428
SMILES:
COC(=O)c1cnc(nc1C(F)(F)F)N1CCCN(CC1)S(=O)(=O)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: