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

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851637
Cas No:884469-67-4
常用名:µ-Conotoxin KIIIA
IUPAC:2-[(1R,6R,9S,12S,15S,18S,21S,24R,27S,30S,33S,36S,39R,42S,47R,56R)-47-amino-30-(4-aminobutyl)-9,21-bis(3-carbamimidamidopropyl)-56-carbamoyl-42-(carbamoylmethyl)-12,33,36-tris(hydroxymethyl)-15-[(1H-imidazol-5-yl)methyl]-27-[(1H-indol-3-yl)methyl]-8,11,14,17,20,23,26,29,32,35,38,41,44,46,58-pentadecaoxo-3,4,49,50,53,54-hexathia-7,10,13,16,19,22,25,28,31,34,37,40,43,45,57-pentadecaazatricyclo[22.20.7.7^{6,39}]octapentacontan-18-yl]acetic acid
IUPAC:2-[(1R,6R,9S,12S,15S,18S,21S,24R,27S,30S,33S,36S,39R,42S,47R,56R)-47-amino-30-(4-aminobutyl)-9,21-bis(3-carbamimidamidopropyl)-56-carbamoyl-42-(carbamoylmethyl)-12,33,36-tris(hydroxymethyl)-15-[(1H-imidazol-5-yl)methyl]-27-[(1H-indol-3-yl)methyl]-8,11,14,17,20,23,26,29,32,35,38,41,44,46,58-pentadecaoxo-3,4,49,50,53,54-hexathia-7,10,13,16,19,22,25,28,31,34,37,40,43,45,57-pentadecaazatricyclo[22.20.7.7^{6,39}]octapentacontan-18-yl]acetic acid
InChI key:PRXVBAUMWHTDJW-FMSJUDGMSA-N

分子式:C70H106N28O22S6
分子量:1884.15
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CSSC[C@]3([H])NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]([H])(CSSC[C@H](N)C(=O)N1)NC(=O)[C@H](Cc1c[nH]c4ccccc14)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@]([H])(CSSC[C@H](NC3=O)C(N)=O)NC(=O)[C@H](CC(N)=O)NC2=O
SMILES:[H][C@@]12CSSC[C@]3([H])NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]([H])(CSSC[C@H](N)C(=O)N1)NC(=O)[C@H](Cc1c[nH]c4ccccc14)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@]([H])(CSSC[C@H](NC3=O)C(N)=O)NC(=O)[C@H](CC(N)=O)NC2=O

μ-Conotoxin KIIIA，一种具有镇痛功能的μ-芋螺毒素，源自Conus kinoshitai。该化合物通过阻断哺乳动物神经元的电压门控钠通道(VGSC) (Nav1.2)，可应用于疼痛研究领域。

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