| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Sodium channel protein type 1 subunit alpha/subunit beta-1/subunit beta-2 |
|---|
| Ligand | BDBM258146 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1990118 (CHEMBL4623853) |
|---|
| IC50 | >100000±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 Chem63:10204-10220 (2020) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Sodium channel protein type 1 subunit alpha/subunit beta-1/subunit beta-2 |
|---|
| Name: | Sodium channel protein type 1 subunit alpha/subunit beta-1/subunit beta-2 |
|---|
| Synonyms: | Sodium channel protein type 1 subunit alpha/beta-1/beta-2 |
|---|
| Type: | n/a |
|---|
| Mol. Mass.: | n/a |
|---|
| Description: | ASSAY_ID of ChEMBL is 1990118 |
|---|
| Components: | This complex has 3 components. |
|---|
| Component 1 |
| Name: | Sodium channel protein type 1 subunit alpha |
|---|
| Synonyms: | SCN1A_MOUSE | Scn1a | Sodium channel protein brain I subunit alpha | Sodium channel protein type 1 subunit alpha | Sodium channel protein type I subunit alpha | Voltage-gated sodium channel subunit alpha Nav1.1 |
|---|
| Type: | PROTEIN |
|---|
| Mol. Mass.: | 228781.36 |
|---|
| Organism: | Mus musculus |
|---|
| Description: | ChEMBL_119880 |
|---|
| Residue: | 2009 |
|---|
| Sequence: | MEQTVLVPPGPDSFNFFTRESLAAIERRIAEEKAKNPKPDKKDDDENGPKPNSDLEAGKN
LPFIYGDIPPEMVSEPLEDLDPYYINKKTFIVLNKGKAIFRFSATSALYILTPFNPLRKI
AIKILVHSLFSMLIMCTILTNCVFMTMSNPPDWTKNVEYTFTGIYTFESLIKIIARGFCL
EDFTFLRDPWNWLDFTVITFAYVTEFVDLGNVSALRTFRVLRALKTISVIPGLKTIVGAL
IQSVKKLSDVMILTVFCLSVFALIGLQLFMGNLRNKCVQWPPTNASLEEHSIEKNITMDY
NGTLVNETVFEFDWKSYIQDSRYHYFLEGVLDALLCGNSSDAGQCPEGYMCVKAGRNPNY
GYTSFDTFSWAFLSLFRLMTQDFWENLYQLTLRAAGKTYMIFFVLVIFLGSFYLINLILA
VVAMAYEEQNQATLEEAEQKEAEFQQMLEQLKKQQEAAQQAAATTASEHSREPSAAGRLS
DSSSEASKLSSKSAKERRNRRKKRKQKEQSGGEEKDDDEFHKSESEDSIRRKGFRFSIEG
NRLTYEKRYSSPHQSLLSIRGSLFSPRRNSRTSLFSFRGRAKDVGSENDFADDEHSTFED
NESRRDSLFVPRRHGERRNSNLSQTSRSSRMLAVFPANGKMHSTVDCNGVVSLVGGPSVP
TSPVGQLLPEVIIDKPATDDNGTTTETEMRKRRSSSFHVSMDFLEDPSQRQRAMSIASIL
TNTVEELEESRQKCPPCWYKFSNIFLIWDCSPYWLKVKHIVNLVVMDPFVDLAITICIVL
NTLFMAMEHYPMTEHFNHVLTVGNLVFTGIFTAEMFLKIIAMDPYYYFQEGWNIFDGFIV
TLSLVELGLANVEGLSVLRSFRLLRVFKLAKSWPTLNMLIKIIGNSVGALGNLTLVLAII
VFIFAVVGMQLFGKSYKDCVCKIATDCKLPRWHMNDFFHSFLIVFRVLCGEWIETMWDCM
EVAGQAMCLTVFMMVMVIGNLVVLNLFLALLLSSFSADNLAATDDDNEMNNLQIAVDRMH
KGIAYVKRKIYEFIQQSFVKKQKILDEIKPLDDLNNRKDNCISNHTTEIGKDLDCLKDVN
GTTSGIGTGSSVEKYIIDESDYMSFINNPSLTVTVPIAVGESDFENLNTEDFSSESDLEE
SKEKLNESSSSSEGSTVDIGAPAEEQPVIEPEETLEPEACFTEGCVQRFKCCQISVEEGR
GKQWWNLRRTCFRIVEHNWFETFIVFMILLSSGALAFEDIYIDQRKTIKTMLEYADKVFT
YIFILEMLLKWVAYGYQTYFTNAWCWLDFLIVDVSLVSLTANALGYSELGAIKSLRTLRA
LRPLRALSRFEGMRVVVNALLGAIPSIMNVLLVCLIFWLIFSIMGVNLFAGKFYHCVNTT
TGDIFEISEVNNHSDCLKLIERNETARWKNVKVNFDNVGFGYLSLLQVATFKGWMDIMYA
AVDSRNVELQPKYEESLYMYLYFVIFIIFGSFFTLNLFIGVIIDNFNQQKKKFGGQDIFM
TEEQKKYYNAMKKLGSKKPQKPIPRPGNKFQGMVFDFVTRQVFDISIMILICLNMVTMMV
ETDDQSDYVTSILSRINLVFIVLFTGECVLKLISLRHYYFTIGWNIFDFVVVILSIVGMF
LAELIEKYFVSPTLFRVIRLARIGRILRLIKGAKGIRTLLFALMMSLPALFNIGLLLFLV
MFIYAIFGMSNFAYVKREVGIDDMFNFETFGNSMICLFQITTSAGWDGLLAPILNSKPPD
CDPNKVNPGSSVKGDCGNPSVGIFFFVSYIIISFLVVVNMYIAVILENFSVATEESAEPL
SEDDFEMFYEVWEKFDPDATQFMEFEKLSQFAAALEPPLNLPQPNKLQLIAMDLPMVSGD
RIHCLDILFAFTKRVLGESGEMDALRIQMEERFMASNPSKVSYQPITTTLKRKQEEVSAV
IIQRAYRRHLLKRTVKQASFTYNKNKLKGGANLLVKEDMLIDRINENSITEKTDLTMSTA
ACPPSYDRVTKPIVEKHEQEGKDEKAKGK
|
|
|
|---|
| 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: | MGTLLALVVGAALVSSAWGGCVEVDSDTEAVYGMTFKILCISCKRRSETTAETFTEWTFR
QKGTEEFVKILRYENEVLQLEEDERFEGRVVWNGSRGTKDLQDLSIFITNVTYNHSGDYE
CHVYRLLFFDNYEHNTSVVKKIHLEVVDKANRDMASIVSEIMMYVLIVVLTIWLVAEMVY
CYKKIAAATEAAAQENASEYLAITSESKENCTGVQVAE
|
|
|
|---|
| 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: | MHRDAWLPRPAFSLTGLSLFFSLVPPGRSMEVTAPTTLSVLNGSDTRLPCTFNSCYTVNH
KQFSLNWTYQECNNCTEEMFLQFRMKIINLKLERFGDRVEFSGNPSKYDVSVTLKNVQLE
DEGIYNCYITNPPDRHRGHGKIYLQVLLEVPPERDSTVAVIVGASVGGFLAVVILVLMVV
KCVRRKKEQKLSTDDLKTEEEGKMDGEGNAEDGTK
|
|
|
|---|
| BDBM258146 |
|---|
| n/a |
|---|
| Name | BDBM258146 |
|---|
| Synonyms: | US9493448, 122 | US9493448, 154 | US9493448, 48 | US9597330, Example 34 | US9845313, Example 154 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C20H21ClFN5O3S |
|---|
| Mol. Mass. | 465.929 |
|---|
| SMILES | Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
