Name: µ-Conotoxin GIIIB
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851572
Cas No:140678-12-2
常用名:µ-Conotoxin GIIIB
IUPAC:(3S)-3-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-{[(1R,4S,7S,10S,12R,16S,19R,22S,25S,28S,31S,34R,37S,40S,43S,45R,49S,51R,55S,58R,65R,72R)-4,16,31,37-tetrakis(4-aminobutyl)-22,25,40-tris(3-carbamimidamidopropyl)-65-{[(1S)-1-carbamoylethyl]carbamoyl}-28-(carboxymethyl)-12,45,51-trihydroxy-55-[(1R)-1-hydroxyethyl]-7-[2-(methylsulfanyl)ethyl]-3,6,9,15,18,21,24,27,30,33,36,39,42,48,54,57,63,71-octadecaoxo-60,61,67,68,74,75-hexathia-2,5,8,14,17,20,23,26,29,32,35,38,41,47,53,56,64,70-octadecaazahexacyclo[32.28.7.7^{19,58}.0^{10,14}.0^{43,47}.0^{49,53}]hexaheptacontan-72-yl]carbamoyl}propanoic acid
IUPAC:(3S)-3-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-{[(1R,4S,7S,10S,12R,16S,19R,22S,25S,28S,31S,34R,37S,40S,43S,45R,49S,51R,55S,58R,65R,72R)-4,16,31,37-tetrakis(4-aminobutyl)-22,25,40-tris(3-carbamimidamidopropyl)-65-{[(1S)-1-carbamoylethyl]carbamoyl}-28-(carboxymethyl)-12,45,51-trihydroxy-55-[(1R)-1-hydroxyethyl]-7-[2-(methylsulfanyl)ethyl]-3,6,9,15,18,21,24,27,30,33,36,39,42,48,54,57,63,71-octadecaoxo-60,61,67,68,74,75-hexathia-2,5,8,14,17,20,23,26,29,32,35,38,41,47,53,56,64,70-octadecaazahexacyclo[32.28.7.7^{19,58}.0^{10,14}.0^{43,47}.0^{49,53}]hexaheptacontan-72-yl]carbamoyl}propanoic acid
InChI key:LMSUYJUOBAMKKS-NCJWVJNKSA-N

分子式:C101H175N39O30S7
分子量:2640.17
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@@H](O)CN1C(=O)[C@H](CCCCN)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC2=O)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]2([H])C[C@@H](O)CN2C(=O)[C@]2([H])C[C@@H](O)CN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@@H](C)C(N)=O
SMILES:[H][C@@]12C[C@@H](O)CN1C(=O)[C@H](CCCCN)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC2=O)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]2([H])C[C@@H](O)CN2C(=O)[C@]2([H])C[C@@H](O)CN2C(=O)[C@@]([H])(NC3=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@@H](C)C(N)=O

μ-Conotoxin GIIIB为含22个氨基酸残基的多肽，源自鱼食性圆锥蜗牛Conus geographus的毒液。该化合物作用于NaV1.4通道，具有抑制功能，能够阻止肌肉细胞收缩。

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