Name: w-Conotoxin SVIB
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT217584558
Cas No:
常用名:w-Conotoxin SVIB
IUPAC:2-[(1R,4S,7S,10S,13S,16S,19S,27R,30S,36S,39S,45R,48S,54S,57R,62R,65S,68S,71S,77S,80S)-62-amino-7,30,65,71-tetrakis(4-aminobutyl)-4,39-bis(3-carbamimidamidopropyl)-27-carbamoyl-77-(2-carbamoylethyl)-10-[(1R)-1-hydroxyethyl]-13,36,48,54,80-pentakis(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-68-(2-methylpropyl)-2,5,8,11,14,17,20,29,32,35,38,41,44,47,50,53,56,63,66,69,72,75,78,81,88-pentacosaoxo-24,25,59,60,84,85-hexathia-3,6,9,12,15,18,21,28,31,34,37,40,43,46,49,52,55,64,67,70,73,76,79,82,87-pentacosaazatricyclo[43.37.4.2^{22,57}]octaoctacontan-19-yl]acetic acid
IUPAC:2-[(1R,4S,7S,10S,13S,16S,19S,27R,30S,36S,39S,45R,48S,54S,57R,62R,65S,68S,71S,77S,80S)-62-amino-7,30,65,71-tetrakis(4-aminobutyl)-4,39-bis(3-carbamimidamidopropyl)-27-carbamoyl-77-(2-carbamoylethyl)-10-[(1R)-1-hydroxyethyl]-13,36,48,54,80-pentakis(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-68-(2-methylpropyl)-2,5,8,11,14,17,20,29,32,35,38,41,44,47,50,53,56,63,66,69,72,75,78,81,88-pentacosaoxo-24,25,59,60,84,85-hexathia-3,6,9,12,15,18,21,28,31,34,37,40,43,46,49,52,55,64,67,70,73,76,79,82,87-pentacosaazatricyclo[43.37.4.2^{22,57}]octaoctacontan-19-yl]acetic acid
InChI key:BEAGVQSCYZQBQI-YRFLVFFJSA-N

分子式:C105H176N38O36S6
分子量:2739.15
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CSSC[C@]3([H])NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@]([H])(NC(=O)C([H])(CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC1=O)C(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC3=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N2
SMILES:[H][C@]12CSSC[C@]3([H])NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@]([H])(NC(=O)C([H])(CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC1=O)C(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC3=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N2

ω-Conotoxin SVIB为从Conus venoms中分离得到的肽类毒素，具有抑制抽搐反应的能力，IC50值为37 nM。在小鼠体内，ω-Conotoxin SVIB可导致呼吸急迫，并在高浓度下致死。

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