Name: µ-Conotoxin BuIIIB
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851796
Cas No:1400096-06-1
常用名:µ-Conotoxin BuIIIB
别名:Mu-Conotoxin BuIIIB
IUPAC:(4S)-4-{2-[(2S)-2-amino-3-methylbutanamido]acetamido}-4-{[(1S)-1-{[(1R,7S,10S,13R,16S,19S,22S,25S,28S,31R,36R,39S,42S,48S,51S,61R,66R)-39,48-bis(4-aminobutyl)-7,16,28,51-tetrakis(3-carbamimidamidopropyl)-61-carbamoyl-42-(carbamoylmethyl)-19-(carboxymethyl)-25-(hydroxymethyl)-22-[(1H-imidazol-5-yl)methyl]-10-[(1H-indol-3-yl)methyl]-2,5,8,11,14,17,20,23,26,29,37,40,43,46,49,52,55,63,65-nonadecaoxo-33,34,58,59,68,69-hexathia-3,6,9,12,15,18,21,24,27,30,38,41,44,47,50,53,56,62,64-nonadecaazatricyclo[29.25.7.7^{13,36}]heptacontan-66-yl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}butanoic acid
IUPAC:(4S)-4-{2-[(2S)-2-amino-3-methylbutanamido]acetamido}-4-{[(1S)-1-{[(1R,7S,10S,13R,16S,19S,22S,25S,28S,31R,36R,39S,42S,48S,51S,61R,66R)-39,48-bis(4-aminobutyl)-7,16,28,51-tetrakis(3-carbamimidamidopropyl)-61-carbamoyl-42-(carbamoylmethyl)-19-(carboxymethyl)-25-(hydroxymethyl)-22-[(1H-imidazol-5-yl)methyl]-10-[(1H-indol-3-yl)methyl]-2,5,8,11,14,17,20,23,26,29,37,40,43,46,49,52,55,63,65-nonadecaoxo-33,34,58,59,68,69-hexathia-3,6,9,12,15,18,21,24,27,30,38,41,44,47,50,53,56,62,64-nonadecaazatricyclo[29.25.7.7^{13,36}]heptacontan-66-yl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}butanoic acid
InChI key:JLHIMHCGBBJRGP-WXADQLDQSA-N

分子式:C106H172N46O30S6
分子量:2763.19
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CSSC[C@H](NC(=O)[C@]3([H])CSSC[C@]([H])(NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(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](CCCNC(N)=N)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N2)C(N)=O
SMILES:[H][C@]12CSSC[C@H](NC(=O)[C@]3([H])CSSC[C@]([H])(NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(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](CCCNC(N)=N)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N2)C(N)=O

μ-Conotoxin BuIIIB (Mu-Conotoxin BuIIIB) 是一种从Cone snails毒液中分离出的肽类分子，专门抑制哺乳动物神经元的电压门控钠通道 (VGSC)，以用作研究离子通道功能的生物探针。它在神经系统疾病（例如疼痛）的研究中具有潜在应用价值。

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