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Target
Sodium channel protein type 5 subunit alpha
Ligand
BDBM50269126
Substrate
n/a
Meas. Tech.
ChEMBL_1705664 (CHEMBL4056897)
IC50
430±n/a nM
Citation
 Schenkel, LB; DiMauro, EF; Nguyen, HN; Chakka, N; Du, B; Foti, RS; Guzman-Perez, A; Jarosh, M; La, DS; Ligutti, J; Milgram, BC; Moyer, BD; Peterson, EA; Roberts, J; Yu, VL; Weiss, MM Discovery of a biarylamide series of potent, state-dependent Na Bioorg Med Chem Lett 27:3817-3824 (2017) [PubMed]  Article 
Target
Name:
Sodium channel protein type 5 subunit alpha
Synonyms:
HH1 | SCN5A | SCN5A_HUMAN | Sodium channel alpha subunit | Sodium channel protein type 5 subunit alpha/beta-1/beta-2 | Sodium channel protein type V alpha subunit | Voltage-gated sodium channel subunit alpha Nav1.5
Type:
Enzyme
Mol. Mass.:
226908.60
Organism:
Homo sapiens (Human)
Description:
Q14524
Residue:
2016
Sequence:
MANFLLPRGTSSFRRFTRESLAAIEKRMAEKQARGSTTLQESREGLPEEEAPRPQLDLQASKKLPDLYGNPPQELIGEPLEDLDPFYSTQKTFIVLNKGKTIFRFSATNALYVLSPFHPIRRAAVKILVHSLFNMLIMCTILTNCVFMAQHDPPPWTKYVEYTFTAIYTFESLVKILARGFCLHAFTFLRDPWNWLDFSVIIMAYTTEFVDLGNVSALRTFRVLRALKTISVISGLKTIVGALIQSVKKLADVMVLTVFCLSVFALIGLQLFMGNLRHKCVRNFTALNGTNGSVEADGLVWESLDLYLSDPENYLLKNGTSDVLLCGNSSDAGTCPEGYRCLKAGENPDHGYTSFDSFAWAFLALFRLMTQDCWERLYQQTLRSAGKIYMIFFMLVIFLGSFYLVNLILAVVAMAYEEQNQATIAETEEKEKRFQEAMEMLKKEHEALTIRGVDTVSRSSLEMSPLAPVNSHERRSKRRKRMSSGTEECGEDRLPKSDSEDGPRAMNHLSLTRGLSRTSMKPRSSRGSIFTFRRRDLGSEADFADDENSTAGESESHHTSLLVPWPLRRTSAQGQPSPGTSAPGHALHGKKNSTVDCNGVVSLLGAGDPEATSPGSHLLRPVMLEHPPDTTTPSEEPGGPQMLTSQAPCVDGFEEPGARQRALSAVSVLTSALEELEESRHKCPPCWNRLAQRYLIWECCPLWMSIKQGVKLVVMDPFTDLTITMCIVLNTLFMALEHYNMTSEFEEMLQVGNLVFTGIFTAEMTFKIIALDPYYYFQQGWNIFDSIIVILSLMELGLSRMSNLSVLRSFRLLRVFKLAKSWPTLNTLIKIIGNSVGALGNLTLVLAIIVFIFAVVGMQLFGKNYSELRDSDSGLLPRWHMMDFFHAFLIIFRILCGEWIETMWDCMEVSGQSLCLLVFLLVMVIGNLVVLNLFLALLLSSFSADNLTAPDEDREMNNLQLALARIQRGLRFVKRTTWDFCCGLLRQRPQKPAALAAQGQLPSCIATPYSPPPPETEKVPPTRKETRFEEGEQPGQGTPGDPEPVCVPIAVAESDTDDQEEDEENSLGTEEESSKQQESQPVSGGPEAPPDSRTWSQVSATASSEAEASASQADWRQQWKAEPQAPGCGETPEDSCSEGSTADMTNTAELLEQIPDLGQDVKDPEDCFTEGCVRRCPCCAVDTTQAPGKVWWRLRKTCYHIVEHSWFETFIIFMILLSSGALAFEDIYLEERKTIKVLLEYADKMFTYVFVLEMLLKWVAYGFKKYFTNAWCWLDFLIVDVSLVSLVANTLGFAEMGPIKSLRTLRALRPLRALSRFEGMRVVVNALVGAIPSIMNVLLVCLIFWLIFSIMGVNLFAGKFGRCINQTEGDLPLNYTIVNNKSQCESLNLTGELYWTKVKVNFDNVGAGYLALLQVATFKGWMDIMYAAVDSRGYEEQPQWEYNLYMYIYFVIFIIFGSFFTLNLFIGVIIDNFNQQKKKLGGQDIFMTEEQKKYYNAMKKLGSKKPQKPIPRPLNKYQGFIFDIVTKQAFDVTIMFLICLNMVTMMVETDDQSPEKINILAKINLLFVAIFTGECIVKLAALRHYYFTNSWNIFDFVVVILSIVGTVLSDIIQKYFFSPTLFRVIRLARIGRILRLIRGAKGIRTLLFALMMSLPALFNIGLLLFLVMFIYSIFGMANFAYVKWEAGIDDMFNFQTFANSMLCLFQITTSAGWDGLLSPILNTGPPYCDPTLPNSNGSRGDCGSPAVGILFFTTYIIISFLIVVNMYIAIILENFSVATEESTEPLSEDDFDMFYEIWEKFDPEATQFIEYSVLSDFADALSEPLRIAKPNQISLINMDLPMVSGDRIHCMDILFAFTKRVLGESGEMDALKIQMEEKFMAANPSKISYEPITTTLRRKHEEVSAMVIQRAFRRHLLQRSLKHASFLFRQQAGSGLSEEDAPEREGLIAYVMSENFSRPLGPPSSSSISSTSFPPSYDSVTRATSDNLQVRGSDYSHSEDLADFPPSPDRDRESIV
  
Inhibitor
Name:
BDBM50269126
Synonyms:
CHEMBL4077551
Type:
Small organic molecule
Emp. Form.:
C25H14ClF6N3O
Mol. Mass.:
521.842
SMILES:
FC(F)(F)c1cccnc1-c1cccc(c1)C(=O)Nc1cccc(c1-c1ncccc1Cl)C(F)(F)F |(49.28,-2.81,;50.05,-4.15,;50.82,-2.81,;51.39,-4.92,;48.72,-4.93,;47.39,-4.17,;46.06,-4.95,;46.07,-6.5,;47.41,-7.25,;48.73,-6.47,;50.07,-7.23,;51.4,-6.45,;52.74,-7.22,;52.74,-8.75,;51.41,-9.52,;50.08,-8.77,;51.41,-11.06,;52.75,-11.82,;50.08,-11.83,;50.09,-13.37,;51.42,-14.14,;51.43,-15.69,;50.09,-16.46,;48.76,-15.69,;48.76,-14.14,;47.43,-13.37,;46.1,-14.14,;44.77,-13.38,;44.77,-11.83,;46.1,-11.06,;47.43,-11.83,;48.77,-11.06,;47.42,-16.45,;48.51,-17.54,;47.02,-17.94,;46.09,-15.68,)|
Structure:
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