Name: ω-Conotoxin GVIA
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218852055
Cas No:106375-28-4
常用名:ω-Conotoxin GVIA
IUPAC:(2S)-2-{[(4S,8R,10S,13S,16S,19S,22S,30R,33S,36S,39S,42S,45S,47R,51S,54R,57S,60S,63R,68R,71S,74S,78R,80S,86S,89S)-68-amino-36,71-bis(4-aminobutyl)-33,60-bis(3-carbamimidamidopropyl)-22,51-bis(carbamoylmethyl)-8,47,78-trihydroxy-13,39-bis[(1R)-1-hydroxyethyl]-4,16,57,74,86,89-hexakis(hydroxymethyl)-19,42-bis[(4-hydroxyphenyl)methyl]-2,5,11,14,17,20,23,32,35,38,41,44,50,53,56,59,62,69,72,75,81,84,87,90,97-pentacosaoxo-27,28,65,66,93,94-hexathia-3,6,12,15,18,21,24,31,34,37,40,43,49,52,55,58,61,70,73,76,82,85,88,91,96-pentacosaazahexacyclo[52.37.4.2^{25,63}.0^{6,10}.0^{45,49}.0^{76,80}]heptanonacontan-30-yl]formamido}-3-(4-hydroxyphenyl)propanamide
IUPAC:(2S)-2-{[(4S,8R,10S,13S,16S,19S,22S,30R,33S,36S,39S,42S,45S,47R,51S,54R,57S,60S,63R,68R,71S,74S,78R,80S,86S,89S)-68-amino-36,71-bis(4-aminobutyl)-33,60-bis(3-carbamimidamidopropyl)-22,51-bis(carbamoylmethyl)-8,47,78-trihydroxy-13,39-bis[(1R)-1-hydroxyethyl]-4,16,57,74,86,89-hexakis(hydroxymethyl)-19,42-bis[(4-hydroxyphenyl)methyl]-2,5,11,14,17,20,23,32,35,38,41,44,50,53,56,59,62,69,72,75,81,84,87,90,97-pentacosaoxo-27,28,65,66,93,94-hexathia-3,6,12,15,18,21,24,31,34,37,40,43,49,52,55,58,61,70,73,76,82,85,88,91,96-pentacosaazahexacyclo[52.37.4.2^{25,63}.0^{6,10}.0^{45,49}.0^{76,80}]heptanonacontan-30-yl]formamido}-3-(4-hydroxyphenyl)propanamide
InChI key:FDQZTPPHJRQRQQ-MWNDAMDPSA-N

分子式:C120H182N38O43S6
分子量:3037.36
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@@H](O)CN1C(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@]1([H])NC(=O)C3([H])CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@]4([H])C[C@@H](O)CN4C(=O)[C@H](CC(N)=O)NC(=O)[C@]([H])(CSSCC([H])(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC2=O)C(=O)N[C@@H](CO)C(=O)N2C[C@H](O)C[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(N)=O)C(=O)N3)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
SMILES:[H][C@@]12C[C@@H](O)CN1C(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@]1([H])NC(=O)C3([H])CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@]4([H])C[C@@H](O)CN4C(=O)[C@H](CC(N)=O)NC(=O)[C@]([H])(CSSCC([H])(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC2=O)C(=O)N[C@@H](CO)C(=O)N2C[C@H](O)C[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(N)=O)C(=O)N3)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC1=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

Peptide neurotoxin; selectively and reversibly blocks N-type calcium channels (IC50 = 0.15 nM). Reduces (RS)-3,5-DHPG -induced long term depression in vivo.

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