Name: Tau conotoxin CnVA
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218850265
Cas No:
常用名:Tau conotoxin CnVA
IUPAC:(4S)-4-amino-4-{[(1R,4S,7S,10S,13S,16S,19R,22R,29R)-29-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-carbamoyl-2-methylpropyl]carbamoyl}-2-phenylethyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}-13-(3-carbamimidamidopropyl)-10-(2-carbamoylethyl)-16-[(1H-imidazol-5-yl)methyl]-4,7-bis(2-methylpropyl)-3,6,9,12,15,18,21,27-octaoxo-24,25,31,32-tetrathia-2,5,8,11,14,17,20,28-octaazabicyclo[17.7.7]tritriacontan-22-yl]carbamoyl}butanoic acid
IUPAC:(4S)-4-amino-4-{[(1R,4S,7S,10S,13S,16S,19R,22R,29R)-29-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-carbamoyl-2-methylpropyl]carbamoyl}-2-phenylethyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}-13-(3-carbamimidamidopropyl)-10-(2-carbamoylethyl)-16-[(1H-imidazol-5-yl)methyl]-4,7-bis(2-methylpropyl)-3,6,9,12,15,18,21,27-octaoxo-24,25,31,32-tetrathia-2,5,8,11,14,17,20,28-octaazabicyclo[17.7.7]tritriacontan-22-yl]carbamoyl}butanoic acid
InChI key:KZNNVGYKGVWTOD-AZTLMJIKSA-N

分子式:C72H116N24O17S4
分子量:1718.11
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CSSC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@]([H])(CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N2
SMILES:[H][C@]12CSSC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@]([H])(CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N2

Tau conotoxin CnVA 属于 Conus consors 蝮蛇毒液中的 T1 蝮蛇肽超家族小肽。该毒素对生长抑素sst3受体具有高度的选择性相互作用 (Ki=1.5 µM)，是唯一已知与该 G 蛋白偶联受体 (GPCR) 亚家族进行作用的毒素。Tau conotoxin CnVA 对于研究与sst3受体相关的疾病，如胰腺癌或垂体腺瘤，具有重要应用价值。

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