Name: α-Conotoxin AuIB
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT218852059
Cas No:216299-21-7
常用名:α-Conotoxin AuIB
别名:α-芋螺毒素 AuIB
IUPAC:2-[(1R,6R,9S,12S,18S,21S,24S,27S,30R,33S,39S,45S,48S,53R)-53-(2-aminoacetamido)-27-benzyl-6-carbamoyl-18-(carbamoylmethyl)-21-[(1R)-1-hydroxyethyl]-48-(hydroxymethyl)-45-[(4-hydroxyphenyl)methyl]-24-methyl-8,11,17,20,23,26,29,32,38,44,47,50,52-tridecaoxo-3,4,55,56-tetrathia-7,10,16,19,22,25,28,31,37,43,46,49,51-tridecaazapentacyclo[28.20.7.0^{12,16}.0^{33,37}.0^{39,43}]heptapentacontan-9-yl]acetic acid
IUPAC:2-[(1R,6R,9S,12S,18S,21S,24S,27S,30R,33S,39S,45S,48S,53R)-53-(2-aminoacetamido)-27-benzyl-6-carbamoyl-18-(carbamoylmethyl)-21-[(1R)-1-hydroxyethyl]-48-(hydroxymethyl)-45-[(4-hydroxyphenyl)methyl]-24-methyl-8,11,17,20,23,26,29,32,38,44,47,50,52-tridecaoxo-3,4,55,56-tetrathia-7,10,16,19,22,25,28,31,37,43,46,49,51-tridecaazapentacyclo[28.20.7.0^{12,16}.0^{33,37}.0^{39,43}]heptapentacontan-9-yl]acetic acid
InChI key:SVNSCQIKKAACJG-SBLJLSJOSA-N

分子式:C65H89N17O21S4
分子量:1572.77
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)CN)C(=O)N[C@@]([H])(CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC2=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N1)[C@@H](C)O
SMILES:[H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)CN)C(=O)N[C@@]([H])(CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC2=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N1)[C@@H](C)O

Selective antagonist of α3β4 nicotinic acetylcholine receptors. Displays > 100-fold selectivity over other receptor subunit combinations including α2β2, α2β4, α3β2, α4β2, α4β4 and α1β1γδ.

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