Reaction Details Report a problem with these data
Target
Sodium channel protein type 2 subunit alpha
Ligand
BDBM268418
Substrate
n/a
Meas. Tech.
ChEMBL_1785073 (CHEMBL4256590)
IC50
7.0±n/a nM
Citation
Focken, T; Chowdhury, S; Zenova, A; Grimwood, ME; Chabot, C; Sheng, T; Hemeon, I; Decker, SM; Wilson, M; Bichler, P; Jia, Q; Sun, S; Young, C; Lin, S; Goodchild, SJ; Shuart, NG; Chang, E; Xie, Z; Li, B; Khakh, K; Bankar, G; Waldbrook, M; Kwan, R; Nelkenbrecher, K; Karimi Tari, P; Chahal, N; Sojo, L; Robinette, CL; White, AD; Chen, CA; Zhang, Y; Pang, J; Chang, JH; Hackos, DH; Johnson, JP; Cohen, CJ; Ortwine, DF; Sutherlin, DP; Dehnhardt, CM; Safina, BS Design of Conformationally Constrained Acyl Sulfonamide Isosteres: Identification of N-([1,2,4]Triazolo[4,3- a]pyridin-3-yl)methane-sulfonamides as Potent and Selective hNa J Med Chem 61:4810-4831 (2018) [PubMed] Article
More Info.:
Target
Name:
Sodium channel protein type 2 subunit alpha
Synonyms:
HBSC II | NAC2 | SCN2A | SCN2A1 | SCN2A2 | SCN2A_HUMAN | Sodium (Site 2) | Sodium channel protein brain II subunit alpha | Sodium channel protein type 2 alpha subunit | Sodium channel protein type II alpha subunit | Voltage-gated sodium channel subunit alpha Nav1.2
Type:
Enzyme
Mol. Mass.:
227954.68
Organism:
Homo sapiens (Human)
Description:
Q99250
Residue:
2005
Sequence:
MAQSVLVPPGPDSFRFFTRESLAAIEQRIAEEKAKRPKQERKDEDDENGPKPNSDLEAGKSLPFIYGDIPPEMVSVPLEDLDPYYINKKTFIVLNKGKAISRFSATPALYILTPFNPIRKLAIKILVHSLFNMLIMCTILTNCVFMTMSNPPDWTKNVEYTFTGIYTFESLIKILARGFCLEDFTFLRDPWNWLDFTVITFAYVTEFVDLGNVSALRTFRVLRALKTISVIPGLKTIVGALIQSVKKLSDVMILTVFCLSVFALIGLQLFMGNLRNKCLQWPPDNSSFEINITSFFNNSLDGNGTTFNRTVSIFNWDEYIEDKSHFYFLEGQNDALLCGNSSDAGQCPEGYICVKAGRNPNYGYTSFDTFSWAFLSLFRLMTQDFWENLYQLTLRAAGKTYMIFFVLVIFLGSFYLINLILAVVAMAYEEQNQATLEEAEQKEAEFQQMLEQLKKQQEEAQAAAAAASAESRDFSGAGGIGVFSESSSVASKLSSKSEKELKNRRKKKKQKEQSGEEEKNDRVRKSESEDSIRRKGFRFSLEGSRLTYEKRFSSPHQSLLSIRGSLFSPRRNSRASLFSFRGRAKDIGSENDFADDEHSTFEDNDSRRDSLFVPHRHGERRHSNVSQASRASRVLPILPMNGKMHSAVDCNGVVSLVGGPSTLTSAGQLLPEGTTTETEIRKRRSSSYHVSMDLLEDPTSRQRAMSIASILTNTMEELEESRQKCPPCWYKFANMCLIWDCCKPWLKVKHLVNLVVMDPFVDLAITICIVLNTLFMAMEHYPMTEQFSSVLSVGNLVFTGIFTAEMFLKIIAMDPYYYFQEGWNIFDGFIVSLSLMELGLANVEGLSVLRSFRLLRVFKLAKSWPTLNMLIKIIGNSVGALGNLTLVLAIIVFIFAVVGMQLFGKSYKECVCKISNDCELPRWHMHDFFHSFLIVFRVLCGEWIETMWDCMEVAGQTMCLTVFMMVMVIGNLVVLNLFLALLLSSFSSDNLAATDDDNEMNNLQIAVGRMQKGIDFVKRKIREFIQKAFVRKQKALDEIKPLEDLNNKKDSCISNHTTIEIGKDLNYLKDGNGTTSGIGSSVEKYVVDESDYMSFINNPSLTVTVPIAVGESDFENLNTEEFSSESDMEESKEKLNATSSSEGSTVDIGAPAEGEQPEVEPEESLEPEACFTEDCVRKFKCCQISIEEGKGKLWWNLRKTCYKIVEHNWFETFIVFMILLSSGALAFEDIYIEQRKTIKTMLEYADKVFTYIFILEMLLKWVAYGFQVYFTNAWCWLDFLIVDVSLVSLTANALGYSELGAIKSLRTLRALRPLRALSRFEGMRVVVNALLGAIPSIMNVLLVCLIFWLIFSIMGVNLFAGKFYHCINYTTGEMFDVSVVNNYSECKALIESNQTARWKNVKVNFDNVGLGYLSLLQVATFKGWMDIMYAAVDSRNVELQPKYEDNLYMYLYFVIFIIFGSFFTLNLFIGVIIDNFNQQKKKFGGQDIFMTEEQKKYYNAMKKLGSKKPQKPIPRPANKFQGMVFDFVTKQVFDISIMILICLNMVTMMVETDDQSQEMTNILYWINLVFIVLFTGECVLKLISLRYYYFTIGWNIFDFVVVILSIVGMFLAELIEKYFVSPTLFRVIRLARIGRILRLIKGAKGIRTLLFALMMSLPALFNIGLLLFLVMFIYAIFGMSNFAYVKREVGIDDMFNFETFGNSMICLFQITTSAGWDGLLAPILNSGPPDCDPDKDHPGSSVKGDCGNPSVGIFFFVSYIIISFLVVVNMYIAVILENFSVATEESAEPLSEDDFEMFYEVWEKFDPDATQFIEFAKLSDFADALDPPLLIAKPNKVQLIAMDLPMVSGDRIHCLDILFAFTKRVLGESGEMDALRIQMEERFMASNPSKVSYEPITTTLKRKQEEVSAIIIQRAYRRYLLKQKVKKVSSIYKKDKGKECDGTPIKEDTLIDKLNENSTPEKTDMTPSTTSPPSYDSVTKPEKEKFEKDKSEKEDKGKDIRESKK
Inhibitor
Name:
BDBM268418
Synonyms:
N-(7-(adamantan-1-ylmethoxy)-6-ethyl-[1,2,4]triazolo[4,3-a]-pyridin-3-yl)-cyclopropanesulfonamide | US9550775, 1
Type:
Small organic molecule
Emp. Form.:
C23H30N4O3S
Mol. Mass.:
442.574
SMILES:
O=S(=O)(Nc1nnc2cc(OCC34CC5CC(CC(C5)C3)C4)c(cn12)C1CC1)C1CC1 |TLB:21:12:19:15.17.16,11:12:19:15.17.16,THB:17:18:13:15.16.21,17:16:13:19.18.20,21:16:19:12.13.20|