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Target
Sodium channel protein type 3 subunit alpha
Ligand
BDBM50242400
Substrate
n/a
Meas. Tech.
ChEMBL_534117 (CHEMBL985174)
IC50
8000±n/a nM
Citation
 Zhang, MM; Green, BR; Catlin, P; Fiedler, B; Azam, L; Chadwick, A; Terlau, H; McArthur, JR; French, RJ; Gulyas, J; Rivier, JE; Smith, BJ; Norton, RS; Olivera, BM; Yoshikami, D; Bulaj, G Structure/function characterization of micro-conotoxin KIIIA, an analgesic, nearly irreversible blocker of mammalian neuronal sodium channels. J Biol Chem 282:30699-706 (2007) [PubMed]  Article 
Target
Name:
Sodium channel protein type 3 subunit alpha
Synonyms:
SCN3A_RAT | Scn3a | Sodium channel protein type 3 subunit alpha | Sodium channel protein type III alpha subunit | Sodium channel protein type III subunit alpha | Sodium channel protein, brain III subunit alpha | Voltage-gated sodium channel | Voltage-gated sodium channel subtype III | Voltage-gated sodium channel subunit alpha Nav1.3
Type:
PROTEIN
Mol. Mass.:
221371.72
Organism:
Rattus norvegicus
Description:
ChEMBL_1516894
Residue:
1951
Sequence:
MAQALLVPPGPESFRLFTRESLAAIEKRAAEEKAKKPKKEQDIDDENKPKPNSDLEAGKNLPFIYGDIPPEMVSEPLEDLDPYYVSKKTFVVLNKGKAIFRFSATSALYILTPLNPVRKIAIKILVHSLFSMLIMCTILTNCVFMTLSNPPDWTKNVEYTFTGIYTFESLIKILARGFCLEDFTFLRDPWNWLDFSVIVMAYVTEFVDLGNVSALRTFRVLRALKTISVIPGLKTIVGALIQSVKKLSDVMILTVFCLSVFALIGLQLFMGNLRNKCSQWPPSDSAFETNTTSYFNGTMDSNGTFVNVTMSTFNWKDYIADDSHFYVLDGQKDPLLCGNGSDAGQCPEGYICVKAGRNPNYGYTSFDTFSWAFLSLFRLMTQDYWENLYQLTLRAAGKTYMIFFVLVIFLGSFYLVNLILAVVAMAYEEQNQATLEEAEQKEAEFQQMLEQLKKQQEEAQAVAAASAASRDFSGIGGLGELLESSSEASKLSSKSAKEWRNRRKKRRQREHLEGNHRADGDRFPKSESEDSVKRRSFLLSLDGNPLTGDKKLCSPHQSLLSIRGSLFSPRRNSKTSIFSFRGRAKDVGSENDFADDEHSTFEDSESRRDSLFVPHRPGERRNSNGTTTETEVRKRRLSSYQISMEMLEDSSGRQRSMSIASILTNTMEELEESRQKCPPCWYRFANVFLIWDCCDAWLKVKHLVNLIVMDPFVDLAITICIVLNTLFMAMEHYPMTQQFSSVLTVGNLVFTGIFTAEMVLKIIAMDPYYYFQEGWNIFDGIIVSLSLMELGLANVEGLSVLRSFRLLRVFKLAKSWPTLNMLIKIIGNSVGALGNLTLVLAIIVFIFAVVGMQLFGKSYKECVCKINVDCKLPRWHMNDFFHSFLIVFRVLCGEWIETMWDCMEVAGQTMCLIVFMLVMVIGNLVVLNLFLALLLSSFSSDNLAATDDDNEMNNLQIAVGRMQKGIDFVKNKIRECFRKAFFRKPKVIEIQEGNKIDSCMSNNTGIEISKELNYLKDGNGTTSGVGTGSSVEKYVIDENDYMSFINNPSLTVTVPIAVGESDFENLNTEEFSSESELEESKEKLNATSSSEGSTVDVAPPREGEQAEIEPEEDLKPEACFTEGCIKKFPFCQVSTEEGKGKIWWNLRKTCYSIVEHNWFETFIVFMILLSSGALAFEDIYIEQRKTIKTMLEYADKVFTYIFILEMLLKWVAYGFQTYFTNAWCWLDFLIVDVSLVSLVANALGYSELGAIKSLRTLRALRPLRALSRFEGMRVVVNALVGAIPSIMNVLLVCLIFWLIFSIMGVNLFAGKFYHCVNTTTGNMFEIKEVNNFSDCQALGKQARWKNVKVNFDNVGAGYLALLQVATFKGWMDIMYAAVDSRDVKLQPIYEENLYMYLYFVIFIIFGSFFTLNLFIGVIIDNFNQQKKKFGGQDIFMTEEQKKYYNAMKKLGSKKPQKPIPRPANKFQGMVFDFVTRQVFDISIMILICLNMVTMMVETDDQSKYMTLVLSRINLVFIVLFTGEFLLKLISLRYYYFTIGWNIFDFVVVILSIVGMFLAELIEKYFVSPTLFRVIRLARIGRILRLIKGAKGIRTLLFALMMSLPALFNIGLLLFLVMFIYAIFGMSNFAYVKKEAGIDDMFNFETFGNSMICLFQITTSAGWDGLLAPILNSAPPDCDPDAIHPGSSVKGDCGNPSVGIFFFVSYIIISFLVVVNMYIAVILENFSVATEESAEPLSEDDFEMFYEVWEKFDPDATQFIEFCKLSDFAAALDPPLLIAKPNKVQLIAMDLPMVSGDRIHCLDILFAFTKRVLGESGEMDALRIQMEDRFMASNPSKVSYEPITTTLKRKQEEVSAAIIQRNYRCYLLKQRLKNISSKYDKETIKGRIDLPIKGDMVIDKLNGNSTPEKTDGSSSTTSPPSYDSVTKPDKEKFEKDKPEKEIKGKEVRENQK
  
Inhibitor
Name:
BDBM50242400
Synonyms:
CCNCSSKWCRDHSRCC | CHEMBL525818
Type:
Small organic molecule
Emp. Form.:
C70H106N28O22S6
Mol. Mass.:
1884.155
SMILES:
NCCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N3)C(=O)N[C@H](CC(N)=O)C(=O)N2)C(N)=O |r,wU:66.69,85.88,21.127,95.99,101.105,9.9,30.115,115.120,49.49,35.35,wD:45.45,77.80,26.128,15.15,5.4,39.39,(33.73,-5.52,;32.41,-6.3,;32.42,-7.84,;31.09,-8.63,;31.1,-10.17,;29.78,-10.95,;29.81,-9.4,;28.48,-8.61,;27.14,-9.36,;28.51,-7.05,;29.85,-6.3,;31.18,-7.08,;27.17,-6.26,;27.2,-4.71,;28.54,-3.95,;25.87,-3.93,;24.53,-4.69,;24.52,-6.23,;25.88,-2.38,;24.54,-1.59,;24.55,-.05,;23.2,-2.36,;21.87,-1.58,;20.53,-2.35,;19.2,-1.57,;17.87,-2.34,;16.54,-1.56,;15.21,-2.34,;15.21,-3.88,;16.55,-4.65,;13.9,-4.65,;12.56,-3.88,;11.23,-4.65,;15.2,-6.98,;16.53,-6.21,;17.86,-6.98,;17.86,-8.52,;16.53,-9.29,;15.19,-8.52,;16.53,-10.83,;15.19,-11.6,;17.86,-11.6,;19.19,-10.84,;24.41,-10.84,;25.74,-11.6,;25.75,-13.15,;27.06,-13.95,;28.39,-13.22,;28.38,-11.67,;29.71,-14.02,;29.67,-15.56,;30.99,-16.36,;31.12,-17.9,;32.62,-18.25,;33.41,-16.93,;34.92,-16.65,;35.43,-15.2,;34.42,-14.04,;32.92,-14.33,;32.42,-15.77,;31.06,-13.28,;31.1,-11.74,;32.45,-10.99,;24.42,-13.88,;24.38,-15.42,;23.12,-13.08,;21.89,-13.71,;21.87,-15.25,;23.19,-16.04,;23.16,-17.58,;24.48,-18.38,;24.46,-19.92,;25.78,-20.71,;23.11,-20.66,;20.57,-12.97,;20.55,-11.43,;19.26,-13.76,;17.86,-13.14,;17.92,-14.55,;19.25,-15.34,;19.23,-16.88,;20.59,-14.58,;16.62,-13.81,;16.65,-15.35,;15.28,-13.07,;13.95,-13.86,;13.97,-15.4,;12.65,-16.19,;12.5,-17.73,;10.99,-18.07,;10.21,-16.74,;11.22,-15.58,;12.61,-13.12,;12.6,-11.58,;11.28,-13.9,;9.93,-13.14,;8.6,-13.92,;7.26,-13.16,;9.92,-11.6,;8.58,-10.84,;11.24,-10.81,;11.24,-9.27,;9.9,-8.51,;9.89,-6.97,;8.55,-6.21,;8.54,-4.67,;7.2,-3.9,;7.19,-2.36,;5.87,-4.68,;12.56,-8.49,;13.9,-9.25,;12.57,-6.96,;19.2,-6.22,;19.2,-4.68,;20.53,-6.99,;21.86,-6.22,;23.2,-6.99,;23.2,-8.53,;21.86,-9.3,;24.53,-9.3,;21.87,-4.68,;20.53,-3.91,;23.2,-3.91,;16.54,-.02,;17.87,.75,;15.21,.75,)|
Structure:
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