Name: Heteropodatoxin-2
Rating: 5 (10 reviews)

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HIT ID:HIT218851781
Cas No:741730-12-1
常用名:Heteropodatoxin-2
IUPAC:(3S)-3-[(2S)-2-[(2S)-6-amino-2-{[(1R,7S,13S,16R,21R,27S,30S,33S,36S,42R,45S,48S,51S,54S,57S,65R,68S,71S,74S)-21-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-27-(4-aminobutyl)-33-benzyl-74-(3-carbamimidamidopropyl)-51-(carbamoylmethyl)-13-(2-carboxyethyl)-45,57-bis(carboxymethyl)-48-[(1R)-1-hydroxyethyl]-36-(hydroxymethyl)-7-[(4-hydroxyphenyl)methyl]-68-[(1H-indol-3-yl)methyl]-54-methyl-30,71-bis(2-methylpropyl)-3,6,9,12,15,22,25,28,31,34,37,40,43,46,49,52,55,58,67,70,73,76,81-tricosaoxo-4-(propan-2-yl)-18,19,62,63,78,79-hexathia-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,66,69,72,75,82-tricosaazatricyclo[40.34.4.2^{16,60}]dooctacontan-65-yl]formamido}hexanamido]-4-methylpentanamido]-3-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid
IUPAC:(3S)-3-[(2S)-2-[(2S)-6-amino-2-{[(1R,7S,13S,16R,21R,27S,30S,33S,36S,42R,45S,48S,51S,54S,57S,65R,68S,71S,74S)-21-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-27-(4-aminobutyl)-33-benzyl-74-(3-carbamimidamidopropyl)-51-(carbamoylmethyl)-13-(2-carboxyethyl)-45,57-bis(carboxymethyl)-48-[(1R)-1-hydroxyethyl]-36-(hydroxymethyl)-7-[(4-hydroxyphenyl)methyl]-68-[(1H-indol-3-yl)methyl]-54-methyl-30,71-bis(2-methylpropyl)-3,6,9,12,15,22,25,28,31,34,37,40,43,46,49,52,55,58,67,70,73,76,81-tricosaoxo-4-(propan-2-yl)-18,19,62,63,78,79-hexathia-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,66,69,72,75,82-tricosaazatricyclo[40.34.4.2^{16,60}]dooctacontan-65-yl]formamido}hexanamido]-4-methylpentanamido]-3-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid
InChI key:DIRUWYNIROJXOZ-GNWHTBKVSA-N

分子式:C144H207N39O46S6
分子量:3412.83
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CSSC[C@]3([H])NC(=O)C(NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CO)C(=O)NCC(=O)N1)NC(=O)C([H])(CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c4ccccc14)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC3=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(O)=O)NC2=O)[C@@H](C)O)C(C)C
SMILES:[H][C@@]12CSSC[C@]3([H])NC(=O)C(NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CO)C(=O)NCC(=O)N1)NC(=O)C([H])(CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c4ccccc14)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC3=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(O)=O)NC2=O)[C@@H](C)O)C(C)C

Heteropodatoxin-2为含30个氨基酸的肽，归属于异足毒素类。它能电压依赖性地阻断非洲爪蟾卵母细胞表达的Kv4.2电流，并在正电位较高时显示出较低的阻断效应。

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规格
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