Reaction Details Report a problem with these data
Target
Sodium channel protein type 9 subunit alpha
Ligand
BDBM453215
Substrate
n/a
Meas. Tech.
Nav 1.7 or Nav 1.5 IWQ In Vitro Assay
IC50
9.73±n/a nM
Citation
 Weiss, M; Dineen, T; Vaida, KR Alkynyl dihydroquinoline sulfonamide compounds US Patent  US10729684 Publication Date 8/4/2020 
Target
Name:
Sodium channel protein type 9 subunit alpha
Synonyms:
NENA | Neuroendocrine sodium channel | Peripheral sodium channel 1 | SCN9A | SCN9A_HUMAN | Sodium channel protein type IX alpha subunit | Voltage-gated sodium channel subunit Nav1.7 | Voltage-gated sodium channel subunit alpha Nav1.7 | hNE-Na
Type:
Protein
Mol. Mass.:
226375.97
Organism:
Homo sapiens (Human)
Description:
Q15858
Residue:
1988
Sequence:
MAMLPPPGPQSFVHFTKQSLALIEQRIAERKSKEPKEEKKDDDEEAPKPSSDLEAGKQLPFIYGDIPPGMVSEPLEDLDPYYADKKTFIVLNKGKTIFRFNATPALYMLSPFSPLRRISIKILVHSLFSMLIMCTILTNCIFMTMNNPPDWTKNVEYTFTGIYTFESLVKILARGFCVGEFTFLRDPWNWLDFVVIVFAYLTEFVNLGNVSALRTFRVLRALKTISVIPGLKTIVGALIQSVKKLSDVMILTVFCLSVFALIGLQLFMGNLKHKCFRNSLENNETLESIMNTLESEEDFRKYFYYLEGSKDALLCGFSTDSGQCPEGYTCVKIGRNPDYGYTSFDTFSWAFLALFRLMTQDYWENLYQQTLRAAGKTYMIFFVVVIFLGSFYLINLILAVVAMAYEEQNQANIEEAKQKELEFQQMLDRLKKEQEEAEAIAAAAAEYTSIRRSRIMGLSESSSETSKLSSKSAKERRNRRKKKNQKKLSSGEEKGDAEKLSKSESEDSIRRKSFHLGVEGHRRAHEKRLSTPNQSPLSIRGSLFSARRSSRTSLFSFKGRGRDIGSETEFADDEHSIFGDNESRRGSLFVPHRPQERRSSNISQASRSPPMLPVNGKMHSAVDCNGVVSLVDGRSALMLPNGQLLPEVIIDKATSDDSGTTNQIHKKRRCSSYLLSEDMLNDPNLRQRAMSRASILTNTVEELEESRQKCPPWWYRFAHKFLIWNCSPYWIKFKKCIYFIVMDPFVDLAITICIVLNTLFMAMEHHPMTEEFKNVLAIGNLVFTGIFAAEMVLKLIAMDPYEYFQVGWNIFDSLIVTLSLVELFLADVEGLSVLRSFRLLRVFKLAKSWPTLNMLIKIIGNSVGALGNLTLVLAIIVFIFAVVGMQLFGKSYKECVCKINDDCTLPRWHMNDFFHSFLIVFRVLCGEWIETMWDCMEVAGQAMCLIVYMMVMVIGNLVVLNLFLALLLSSFSSDNLTAIEEDPDANNLQIAVTRIKKGINYVKQTLREFILKAFSKKPKISREIRQAEDLNTKKENYISNHTLAEMSKGHNFLKEKDKISGFGSSVDKHLMEDSDGQSFIHNPSLTVTVPIAPGESDLENMNAEELSSDSDSEYSKVRLNRSSSSECSTVDNPLPGEGEEAEAEPMNSDEPEACFTDGCVWRFSCCQVNIESGKGKIWWNIRKTCYKIVEHSWFESFIVLMILLSSGALAFEDIYIERKKTIKIILEYADKIFTYIFILEMLLKWIAYGYKTYFTNAWCWLDFLIVDVSLVTLVANTLGYSDLGPIKSLRTLRALRPLRALSRFEGMRVVVNALIGAIPSIMNVLLVCLIFWLIFSIMGVNLFAGKFYECINTTDGSRFPASQVPNRSECFALMNVSQNVRWKNLKVNFDNVGLGYLSLLQVATFKGWTIIMYAAVDSVNVDKQPKYEYSLYMYIYFVVFIIFGSFFTLNLFIGVIIDNFNQQKKKLGGQDIFMTEEQKKYYNAMKKLGSKKPQKPIPRPGNKIQGCIFDLVTNQAFDISIMVLICLNMVTMMVEKEGQSQHMTEVLYWINVVFIILFTGECVLKLISLRHYYFTVGWNIFDFVVVIISIVGMFLADLIETYFVSPTLFRVIRLARIGRILRLVKGAKGIRTLLFALMMSLPALFNIGLLLFLVMFIYAIFGMSNFAYVKKEDGINDMFNFETFGNSMICLFQITTSAGWDGLLAPILNSKPPDCDPKKVHPGSSVEGDCGNPSVGIFYFVSYIIISFLVVVNMYIAVILENFSVATEESTEPLSEDDFEMFYEVWEKFDPDATQFIEFSKLSDFAAALDPPLLIAKPNKVQLIAMDLPMVSGDRIHCLDILFAFTKRVLGESGEMDSLRSQMEERFMSANPSKVSYEPITTTLKRKQEDVSATVIQRAYRRYRLRQNVKNISSIYIKDGDRDDDLLNKKDMAFDNVNENSSPEKTDATSSTTSPPSYDSVTKPDKEKYEQDRTEKEDKGKDSKESKK
  
Inhibitor
Name:
BDBM453215
Synonyms:
1-(4-(((1R)-3,3-difluorocyclohexyl)ethynyl)-5-fluoro- 2-methoxyphenyl)-N-3-isoxazolyl-2-oxo-1,2-dihydro- 6-quinolinesulfonamide, 1-(4-(((1S)-3,3- difluorocyclohexyl)ethynyl)-5-fluoro-2- methoxyphenyl)-N-3-isoxazolyl-2-oxo-1,2-dihydro-6- quinolinesulfonamide | US10729684, Example 8
Type:
Small organic molecule
Emp. Form.:
C28H23F4N3O6S
Mol. Mass.:
605.557
SMILES:
COc1cc(C#CC2(CCCC2)OCC(F)(F)F)c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1 |(-1.48,-1.29,;-.15,-2.06,;1.18,-1.29,;1.18,.25,;2.52,1.02,;2.52,2.56,;2.52,4.1,;2.52,5.64,;2.99,7.11,;1.75,8.01,;.5,7.11,;.98,5.64,;3.85,4.87,;5.19,5.64,;6.52,4.87,;7.85,5.64,;6.52,3.33,;7.85,4.1,;3.85,.25,;5.19,1.02,;3.85,-1.29,;2.52,-2.06,;2.52,-3.6,;1.18,-4.37,;-.15,-3.6,;-1.48,-4.37,;-1.48,-5.91,;-.15,-6.68,;1.18,-5.91,;2.52,-6.68,;3.85,-5.91,;3.85,-4.37,;5.19,-3.6,;-2.82,-6.68,;-3.59,-5.34,;-2.05,-8.01,;-4.15,-7.45,;-5.48,-6.68,;-6.95,-7.15,;-7.85,-5.91,;-6.95,-4.66,;-5.48,-5.14,)|
Structure:
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