Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3S)-3-amino-4-[[(1R,4S,7S,10S,13S,19S,22R,27R,30S,36S,39S,42S,45S,48R,51S,54S,57S,60S,63S,66S,69R,74R,77S,80S,83S,86S,89S,92S)-74-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]-45,66,80-tris(4-aminobutyl)-10,60-bis(2-amino-2-oxoethyl)-36-benzyl-51-[(2S)-butan-2-yl]-19,42,89-tris(3-carbamimidamidopropyl)-57,63-bis(carboxymethyl)-86-[(1R)-1-hydroxyethyl]-92-(hydroxymethyl)-83-(1H-imidazol-5-ylmethyl)-77-(1H-indol-3-ylmethyl)-54-methyl-7,30-bis(2-methylpropyl)-39-(2-methylsulfanylethyl)-3,6,9,12,18,21,28,31,34,37,40,43,46,49,52,55,58,61,64,67,76,79,82,85,88,91,94,99-octacosaoxo-4-propan-2-yl-24,25,71,72,96,97-hexathia-a,2,5,8,11,17,20,29,32,35,38,41,44,47,50,53,56,59,62,65,68,75,78,81,84,87,90,93-octacosazatetracyclo[46.46.4.222,69.013,17]hectan-27-yl]amino]-4-oxobutanoic acid
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 PubChem ID
CID: 118734442
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC1=O)C(C)C
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Compound Formula C174H269N53O45S7
Compound Structure
Protein Name
 Protein Info 
Sodium channel protein type 9 subunit alpha
Protein Classification
Ion channel
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Voltage-gated ion channel
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Voltage-gated sodium channel
Uniprot ID
Q15858
Gene Name
SCN9A
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 170 nM
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