| Reaction Details |
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 | Report a problem with these data |
| Target | Sodium channel protein type 1 subunit alpha/subunit beta-1/subunit beta-2 |
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| Ligand | BDBM258146 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1990083 (CHEMBL4623818) |
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| IC50 | >100000±n/a nM |
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| 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 Chem63:10204-10220 (2020) [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/subunit beta-2 |
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| Name: | Sodium channel protein type 1 subunit alpha/subunit beta-1/subunit beta-2 |
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| Synonyms: | Sodium channel protein type 1 subunit alpha/beta-1/beta-2 |
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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 1990083 |
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| Components: | This complex has 3 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-2 |
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| Synonyms: | SCN2B | SCN2B_HUMAN | Sodium channel subunit beta-2 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 24325.09 |
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| Organism: | Homo sapiens |
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| Description: | ChEMBL_119884 |
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| Residue: | 215 |
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| Sequence: | MHRDAWLPRPAFSLTGLSLFFSLVPPGRSMEVTVPATLNVLNGSDARLPCTFNSCYTVNH
KQFSLNWTYQECNNCSEEMFLQFRMKIINLKLERFQDRVEFSGNPSKYDVSVMLRNVQPE
DEGIYNCYIMNPPDRHRGHGKIHLQVLMEEPPERDSTVAVIVGASVGGFLAVVILVLMVV
KCVRRKKEQKLSTDDLKTEEEGKTDGEGNPDDGAK
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| Component 3 |
| 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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| BDBM258146 |
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| n/a |
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| Name | BDBM258146 |
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| Synonyms: | US9493448, 122 | US9493448, 154 | US9493448, 48 | US9597330, Example 34 | US9845313, Example 154 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H21ClFN5O3S |
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| Mol. Mass. | 465.929 |
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| SMILES | Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r| |
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| Structure | 
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