| Reaction Details |
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 | Report a problem with these data |
| Target | Sodium channel protein type 1 subunit alpha/subunit beta-1 |
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| Ligand | BDBM50530539 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1913272 (CHEMBL4415855) |
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| IC50 | >10000±n/a nM |
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| Citation |  Focken, T; Burford, K; Grimwood, ME; Zenova, A; Andrez, JC; Gong, W; Wilson, M; Taron, M; Decker, S; Lofstrand, V; Chowdhury, S; Shuart, N; Lin, S; Goodchild, SJ; Young, C; Soriano, M; Tari, PK; Waldbrook, M; Nelkenbrecher, K; Kwan, R; Lindgren, A; de Boer, G; Lee, S; Sojo, L; DeVita, RJ; Cohen, CJ; Wesolowski, SS; Johnson, JP; Dehnhardt, CM; Empfield, JR Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective Na J Med Chem62:9618-9641 (2019) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Sodium channel protein type 1 subunit alpha/subunit beta-1 |
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| Name: | Sodium channel protein type 1 subunit alpha/subunit beta-1 |
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| Synonyms: | SCN1A/SCN1B |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 1913272 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Sodium channel protein type 1 subunit alpha |
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| Synonyms: | NAC1 | SCN1 | SCN1A | SCN1A_HUMAN | Sodium (Site 1) | Sodium channel alpha subunit | Sodium channel protein type 1 subunit alpha | Sodium channel protein type I alpha subunit | Sodium channel protein type I subunit alpha | Sodium channel protein, brain I subunit alpha | Voltage-gated sodium channel subunit alpha Nav1.1 |
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| Type: | Protein |
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| Mol. Mass.: | 228952.47 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P35498 |
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| Residue: | 2009 |
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| Sequence: | MEQTVLVPPGPDSFNFFTRESLAAIERRIAEEKAKNPKPDKKDDDENGPKPNSDLEAGKN
LPFIYGDIPPEMVSEPLEDLDPYYINKKTFIVLNKGKAIFRFSATSALYILTPFNPLRKI
AIKILVHSLFSMLIMCTILTNCVFMTMSNPPDWTKNVEYTFTGIYTFESLIKIIARGFCL
EDFTFLRDPWNWLDFTVITFAYVTEFVDLGNVSALRTFRVLRALKTISVIPGLKTIVGAL
IQSVKKLSDVMILTVFCLSVFALIGLQLFMGNLRNKCIQWPPTNASLEEHSIEKNITVNY
NGTLINETVFEFDWKSYIQDSRYHYFLEGFLDALLCGNSSDAGQCPEGYMCVKAGRNPNY
GYTSFDTFSWAFLSLFRLMTQDFWENLYQLTLRAAGKTYMIFFVLVIFLGSFYLINLILA
VVAMAYEEQNQATLEEAEQKEAEFQQMIEQLKKQQEAAQQAATATASEHSREPSAAGRLS
DSSSEASKLSSKSAKERRNRRKKRKQKEQSGGEEKDEDEFQKSESEDSIRRKGFRFSIEG
NRLTYEKRYSSPHQSLLSIRGSLFSPRRNSRTSLFSFRGRAKDVGSENDFADDEHSTFED
NESRRDSLFVPRRHGERRNSNLSQTSRSSRMLAVFPANGKMHSTVDCNGVVSLVGGPSVP
TSPVGQLLPEVIIDKPATDDNGTTTETEMRKRRSSSFHVSMDFLEDPSQRQRAMSIASIL
TNTVEELEESRQKCPPCWYKFSNIFLIWDCSPYWLKVKHVVNLVVMDPFVDLAITICIVL
NTLFMAMEHYPMTDHFNNVLTVGNLVFTGIFTAEMFLKIIAMDPYYYFQEGWNIFDGFIV
TLSLVELGLANVEGLSVLRSFRLLRVFKLAKSWPTLNMLIKIIGNSVGALGNLTLVLAII
VFIFAVVGMQLFGKSYKDCVCKIASDCQLPRWHMNDFFHSFLIVFRVLCGEWIETMWDCM
EVAGQAMCLTVFMMVMVIGNLVVLNLFLALLLSSFSADNLAATDDDNEMNNLQIAVDRMH
KGVAYVKRKIYEFIQQSFIRKQKILDEIKPLDDLNNKKDSCMSNHTAEIGKDLDYLKDVN
GTTSGIGTGSSVEKYIIDESDYMSFINNPSLTVTVPIAVGESDFENLNTEDFSSESDLEE
SKEKLNESSSSSEGSTVDIGAPVEEQPVVEPEETLEPEACFTEGCVQRFKCCQINVEEGR
GKQWWNLRRTCFRIVEHNWFETFIVFMILLSSGALAFEDIYIDQRKTIKTMLEYADKVFT
YIFILEMLLKWVAYGYQTYFTNAWCWLDFLIVDVSLVSLTANALGYSELGAIKSLRTLRA
LRPLRALSRFEGMRVVVNALLGAIPSIMNVLLVCLIFWLIFSIMGVNLFAGKFYHCINTT
TGDRFDIEDVNNHTDCLKLIERNETARWKNVKVNFDNVGFGYLSLLQVATFKGWMDIMYA
AVDSRNVELQPKYEESLYMYLYFVIFIIFGSFFTLNLFIGVIIDNFNQQKKKFGGQDIFM
TEEQKKYYNAMKKLGSKKPQKPIPRPGNKFQGMVFDFVTRQVFDISIMILICLNMVTMMV
ETDDQSEYVTTILSRINLVFIVLFTGECVLKLISLRHYYFTIGWNIFDFVVVILSIVGMF
LAELIEKYFVSPTLFRVIRLARIGRILRLIKGAKGIRTLLFALMMSLPALFNIGLLLFLV
MFIYAIFGMSNFAYVKREVGIDDMFNFETFGNSMICLFQITTSAGWDGLLAPILNSKPPD
CDPNKVNPGSSVKGDCGNPSVGIFFFVSYIIISFLVVVNMYIAVILENFSVATEESAEPL
SEDDFEMFYEVWEKFDPDATQFMEFEKLSQFAAALEPPLNLPQPNKLQLIAMDLPMVSGD
RIHCLDILFAFTKRVLGESGEMDALRIQMEERFMASNPSKVSYQPITTTLKRKQEEVSAV
IIQRAYRRHLLKRTVKQASFTYNKNKIKGGANLLIKEDMIIDRINENSITEKTDLTMSTA
ACPPSYDRVTKPIVEKHEQEGKDEKAKGK
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| Component 2 |
| Name: | Sodium channel subunit beta-1 |
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| Synonyms: | SCN1B | SCN1B_HUMAN | Sodium channel subunit beta-1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 24696.80 |
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| Organism: | Homo sapiens |
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| Description: | ChEMBL_119389 |
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| Residue: | 218 |
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| Sequence: | MGRLLALVVGAALVSSACGGCVEVDSETEAVYGMTFKILCISCKRRSETNAETFTEWTFR
QKGTEEFVKILRYENEVLQLEEDERFEGRVVWNGSRGTKDLQDLSIFITNVTYNHSGDYE
CHVYRLLFFENYEHNTSVVKKIHIEVVDKANRDMASIVSEIMMYVLIVVLTIWLVAEMIY
CYKKIAAATETAAQENASEYLAITSESKENCTGVQVAE
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| BDBM50530539 |
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| n/a |
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| Name | BDBM50530539 |
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| Synonyms: | CHEMBL4460028 | US11174268, Example 300 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H23F3N4O2S2 |
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| Mol. Mass. | 496.569 |
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| SMILES | CC1(C)CCN1Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1 |
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| Structure | 
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