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Target
Sodium channel protein type 9 subunit alpha/subunit beta-1/subunit beta-2
Ligand
BDBM50257179
Substrate
n/a
Meas. Tech.
ChEMBL_1990086 (CHEMBL4623821)
IC50
0.550000±n/a nM
Citation
 Shinozuka, T; Kobayashi, H; Suzuki, S; Tanaka, K; Karanjule, N; Hayashi, N; Tsuda, T; Tokumaru, E; Inoue, M; Ueda, K; Kimoto, H; Domon, Y; Takahashi, S; Kubota, K; Yokoyama, T; Shimizugawa, A; Koishi, R; Fujiwara, C; Asano, D; Sakakura, T; Takasuna, K; Abe, Y; Watanabe, T; Kitano, Y Discovery of DS-1971a, a Potent, Selective Na J Med Chem 63:10204-10220 (2020) [PubMed]  Article 
Target
Name:
Sodium channel protein type 9 subunit alpha/subunit beta-1/subunit beta-2
Synonyms:
Sodium channel protein type 9 subunit alpha/beta-1/beta-2
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1990086
Components:
This complex has 3 components.
Component 1
Name:
Sodium channel protein type 9 subunit alpha
Synonyms:
Kiaa4197 | PN1 | Peripheral sodium channel 1 | SCN9A_MOUSE | Scn9a | Sodium channel protein type 9 subunit alpha | Sodium channel protein type IX subunit alpha | Voltage-gated sodium channel subunit alpha Nav1.7
Type:
PROTEIN
Mol. Mass.:
225808.99
Organism:
Mus musculus
Description:
ChEMBL_109594
Residue:
1984
Sequence:
MAMLPPPGPQSFVHFTKQSLALIEQRISEEKAKGHKDEKKDDEEEGPKPSSDLEAGKQLPFIYGDIPPGMVSEPLEDLDPYYADKKTFIVLNKGKAIFRFNATPALYMLSPFSPLRRISIKILVHSLFSMLIMCTILTNCIFMTMSNPPDWTKNVEYTFTGIYTFESLIKILARGFCVGEFTFLRDPWNWLDFVVIVFAYLTEFVNLGNVSALRTFRVLRALKTISVIPGLKTIVGALIQSVKKLSDVMILTVFCLSVFALIGLQLFMGNLKHKCFRKDLEQNETLESIMSTAESEEELKRYFYYLEGSKDALLCGFSTDSGQCPEGYECVTAGRNPDYGYTSFDTFGWAFLALFRLMTQDYWENLYQQTLRAAGKTYMIFFVVVIFLGSFYLINLILAVVAMAYEEQNQANIEEAKQKELEFQQMLDRLKKEQEEAEAIAAAAAEYTSLGRSRIMGLSESSSETSRLSSKSAKERRNRRKKKKQKLSSGEEKGDDEKLSKSGSEESIRKKSFHLGVEGHHRAREKRLSTPNQSPLSIRGSLFSARRSSRTSLFSFKGRGRDLGSETEFADDEHSIFGDNESRRGSLFVPHRPRERRSSNISQASRSPPVLPVNGKMHSAVDCNGVVSLVDGPSALMLPNGQLLPEVIIDKATSDDSGTTNQMRKKRLSSSYFLSEDMLNDPHLRQRAMSRASILTNTVEELEESRQKCPPWWYRFAHTFLIWNCSPYWIKFKKFIYFIVMDPFVDLAITICIVLNTLFMAMEHHPMTDEFKNVLAVGNLVFTGIFAAEMVLKLIAMDPYEYFQVGWNIFDSLIVTLSLVELFLADVEGLSVLRSFRLLRVFKLAKSWPTLNMLIKIIGNSVGALGNLTLVLAIIVFIFAVVGMQLFGKSYKECVCKINENCKLPRWHMNDFFHSFLIVFRVLCGEWIETMWDCMEVAGQTMCLIVYMMVMVIGNLVVLNLFLALLLSSFSSDNLTAIEEDTDANNLQIAVARIKRGINYVKQTLREFILKSFSKKPKGSKDTKRTADPNNKRENYISNRTLAEISKDHNFLKEKDKISGFSSSLDKSFMDENDYQSFIHNPSLTVTVPIAPGESDLENMNTEELSSDSDSDYSKERRNRSSSSECSTVDNPLPGEEEAEAEPINADEPEACFTDGCVRRFPCCQVNIDSGKGKVWWTIRKTCYRIVEHSWFESFIVLMILLSSGALAFEDIYIEKKKTIKIILEYADKIFTYIFILEMLLKWVAYGYKTYFTNAWCWLDFLIVDVSLVTLVANTLGYSDLGPIKSLRTLRALRPLRALSRFEGMRVVVNALIGAIPSIMNVLLVCLIFWLIFSIMGVNLFAGKFYECVNTTDGSRFSVSQVANRSECFALMNVSGNVRWKNLKVNFDNVGLGYLSLLQVATFKGWMDIMYAAVDSVNVNAQPIYEYNLYMYIYFVIFIIFGSFFTLNLFIGVIIDNFNQQKKKLGGQDIFMTEEQKKYYNAMKKLGSKKPQKPIPRPGNKFQGCIFDLVTNQAFDITIMVLICLNMVTMMVEKEGQTDYMSFVLYWINVVFIILFTGECVLKLISLRHYYFTVGWNIFDFVVVILSIVGMFLAEMIEKYFVSPTLFRVIRLARIGRILRLIKGAKGIRTLLFALMMSLPALFNIGLLLFLVMFIYAIFGMSNFAYVKKEAGINDMFNFETFGNSMICLFQITTSAGWDGLLAPILNSAPPDCDPKKVHPGSSVEGDCGNPSVGIFYFVSYIIISFLVVVNMYIAVILENFSVATEESTEPLSEDDFEMFYEVWEKFDPDATQFIEFCKLSDFAAALDPPLLIAKPNKVQLIAMDLPMVSGDRIHCLDILFAFTKRVLGESGEMDSLRSQMEERFMSANPSKVSYEPITTTLKRKQEDVSATIIQRAYRRYRLRQNVKNISSIYIKDGDRDDDLPNKEDIVFDNVNENSSPEKTDATASTISPPSYDSVTKPDQEKYETDKTEKEDKEKDESRK
  
Component 2
Name:
Sodium channel subunit beta-1
Synonyms:
SCN1B_MOUSE | Scn1b | Sodium channel subunit beta-1
Type:
PROTEIN
Mol. Mass.:
24638.67
Organism:
Mus musculus
Description:
ChEMBL_119885
Residue:
218
Sequence:
MGTLLALVVGAALVSSAWGGCVEVDSDTEAVYGMTFKILCISCKRRSETTAETFTEWTFRQKGTEEFVKILRYENEVLQLEEDERFEGRVVWNGSRGTKDLQDLSIFITNVTYNHSGDYECHVYRLLFFDNYEHNTSVVKKIHLEVVDKANRDMASIVSEIMMYVLIVVLTIWLVAEMVYCYKKIAAATEAAAQENASEYLAITSESKENCTGVQVAE
  
Component 3
Name:
Sodium channel subunit beta-2
Synonyms:
Gm183 | SCN2B_MOUSE | Scn2b | Sodium channel subunit beta-2
Type:
PROTEIN
Mol. Mass.:
24227.48
Organism:
Mus musculus
Description:
ChEMBL_119885
Residue:
215
Sequence:
MHRDAWLPRPAFSLTGLSLFFSLVPPGRSMEVTAPTTLSVLNGSDTRLPCTFNSCYTVNHKQFSLNWTYQECNNCTEEMFLQFRMKIINLKLERFGDRVEFSGNPSKYDVSVTLKNVQLEDEGIYNCYITNPPDRHRGHGKIYLQVLLEVPPERDSTVAVIVGASVGGFLAVVILVLMVVKCVRRKKEQKLSTDDLKTEEEGKMDGEGNAEDGTK
  
Inhibitor
Name:
BDBM50257179
Synonyms:
CHEMBL2325622
Type:
Small organic molecule
Emp. Form.:
C21H17ClF2N6O3S2
Mol. Mass.:
538.978
SMILES:
CN1CC(C1)n1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Structure:
Search PDB for entries with ligand similarity: