Reaction Details
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Sodium channel protein type 9 subunit alpha
Ligand
BDBM50237990
Substrate
n/a
Meas. Tech.
ChEMBL_1662647 (CHEMBL4012328)
IC50
160±n/a nM
Citation
Graceffa, RF; Boezio, AA; Able, J; Altmann, S; Berry, LM; Boezio, C; Butler, JR; Chu-Moyer, M; Cooke, M; DiMauro, EF; Dineen, TA; Feric Bojic, E; Foti, RS; Fremeau, RT; Guzman-Perez, A; Gao, H; Gunaydin, H; Huang, H; Huang, L; Ilch, C; Jarosh, M; Kornecook, T; Kreiman, CR; La, DS; Ligutti, J; Milgram, BC; Lin, MJ; Marx, IE; Nguyen, HN; Peterson, EA; Rescourio, G; Roberts, J; Schenkel, L; Shimanovich, R; Sparling, BA; Stellwagen, J; Taborn, K; Vaida, KR; Wang, J; Yeoman, J; Yu, V; Zhu, D; Moyer, BD; Weiss, MM Sulfonamides as Selective Na J Med Chem 60:5990-6017 (2017) [PubMed] Article More Info.:
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:
BDBM50237990
Synonyms:
CHEMBL4069051
Type:
Small organic molecule
Emp. Form.:
C26H16F2N4O5S
Mol. Mass.:
534.491
SMILES:
COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1ccc(C#N)c(F)c1 |(11.87,-30.75,;10.54,-31.53,;10.55,-33.07,;11.89,-33.83,;11.9,-35.38,;10.57,-36.15,;10.57,-37.7,;9.23,-35.39,;9.23,-33.85,;7.89,-33.09,;7.88,-31.54,;9.21,-30.77,;9.2,-29.24,;7.87,-28.47,;6.55,-29.24,;6.55,-30.77,;5.22,-31.54,;5.22,-33.09,;6.55,-33.86,;6.55,-35.4,;7.85,-26.93,;6.36,-26.52,;7.46,-25.43,;9.19,-26.15,;9.18,-24.61,;7.93,-23.72,;8.4,-22.25,;9.94,-22.24,;10.42,-23.7,;13.24,-36.14,;13.24,-37.69,;14.58,-38.45,;15.91,-37.67,;17.25,-38.43,;18.59,-39.19,;15.9,-36.12,;17.23,-35.34,;14.56,-35.37,)|
Structure:
