Name: αA-Conotoxin OIVA
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851792
Cas No:878027-87-3
常用名:αA-Conotoxin OIVA
别名:αA-OIVA
IUPAC:(1R,4S,8R,10S,13R,18R,21S,24S,27S,30R,35R,45R,50S,53S,56S,63R,68S)-63-amino-27-(4-aminobutyl)-24,50-bis(carbamoylmethyl)-8,45-dihydroxy-21-[(1R)-1-hydroxyethyl]-4-[(1H-imidazol-5-yl)methyl]-53,56-dimethyl-2,5,11,20,23,26,29,36,39,42,48,51,54,57,64,67,70-heptadecaoxo-41,68-bis(propan-2-yl)-15,16,32,33,60,61-hexathia-3,6,12,19,22,25,28,37,40,43,49,52,55,58,65,66,69-heptadecaazapentacyclo[33.23.7.5^{13,30}.0^{6,10}.0^{43,47}]heptacontane-18-carboxamide
IUPAC:(1R,4S,8R,10S,13R,18R,21S,24S,27S,30R,35R,45R,50S,53S,56S,63R,68S)-63-amino-27-(4-aminobutyl)-24,50-bis(carbamoylmethyl)-8,45-dihydroxy-21-[(1R)-1-hydroxyethyl]-4-[(1H-imidazol-5-yl)methyl]-53,56-dimethyl-2,5,11,20,23,26,29,36,39,42,48,51,54,57,64,67,70-heptadecaoxo-41,68-bis(propan-2-yl)-15,16,32,33,60,61-hexathia-3,6,12,19,22,25,28,37,40,43,49,52,55,58,65,66,69-heptadecaazapentacyclo[33.23.7.5^{13,30}.0^{6,10}.0^{43,47}]heptacontane-18-carboxamide
InChI key:IDGKONGIJQBQTB-AERIFXNVSA-N

分子式:C70H110N24O23S6
分子量:1848.16
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@@H](O)CN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@]1([H])CSSC[C@H](N)C(=O)N[C@@]([H])(CSSC[C@]3([H])NC(=O)[C@@H](NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC3=O)[C@@H](C)O)C(N)=O)NC2=O)C(C)C)C(=O)NCC(=O)NC(C(C)C)C(=O)N2C[C@H](O)CC2C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1
SMILES:[H][C@@]12C[C@@H](O)CN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@]1([H])CSSC[C@H](N)C(=O)N[C@@]([H])(CSSC[C@]3([H])NC(=O)[C@@H](NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC3=O)[C@@H](C)O)C(N)=O)NC2=O)C(C)C)C(=O)NCC(=O)NC(C(C)C)C(=O)N2C[C@H](O)CC2C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1

αA-Conotoxin OIVA（αA-OIVA）作为一种多肽，源自芋螺毒素，它是一种选择性nAChR拮抗剂，针对哺乳动物胎儿肌肉nAChR展现出56 nM的IC50值，具备麻痹肌肉的能力。

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