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

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851795
Cas No:877860-32-7
常用名:µ-Conotoxin SIIIA
IUPAC:2-[(1R,4S,13R,16S,19S,22S,25S,28R,31S,34S,37S,40S,43S,46R,53R,60R)-22-(4-aminobutyl)-31,43-bis(3-carbamimidamidopropyl)-60-carbamoyl-53-[(2S)-3-carbamoyl-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-4-(carbamoylmethyl)-16,19-bis(hydroxymethyl)-37-[(1H-imidazol-5-yl)methyl]-25-[(1H-indol-3-yl)methyl]-40-methyl-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,52,58-heptadecaoxo-48,49,55,56,62,63-hexathia-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,51,59-heptadecaazatricyclo[26.22.7.7^{13,46}]tetrahexacontan-34-yl]acetic acid
IUPAC:2-[(1R,4S,13R,16S,19S,22S,25S,28R,31S,34S,37S,40S,43S,46R,53R,60R)-22-(4-aminobutyl)-31,43-bis(3-carbamimidamidopropyl)-60-carbamoyl-53-[(2S)-3-carbamoyl-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-4-(carbamoylmethyl)-16,19-bis(hydroxymethyl)-37-[(1H-imidazol-5-yl)methyl]-25-[(1H-indol-3-yl)methyl]-40-methyl-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,52,58-heptadecaoxo-48,49,55,56,62,63-hexathia-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,51,59-heptadecaazatricyclo[26.22.7.7^{13,46}]tetrahexacontan-34-yl]acetic acid
InChI key:DEVWNLMJVNZHDB-XBROASBOSA-N

分子式:C83H123N33O27S6
分子量:2207.46
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CSSC[C@H](NC(=O)[C@]3([H])CSSC[C@]([H])(NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N2)C(N)=O
SMILES:[H][C@]12CSSC[C@H](NC(=O)[C@]3([H])CSSC[C@]([H])(NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N2)C(N)=O

μ-Conotoxin SIIIA为TTX抗性sodium channel拮抗剂，属于毒性肽类，源自Conus snails毒液。该化合物主要应用于神经系统疾病，尤指神经性疼痛的研究。

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