Name: HPV16-E711-20 epitope
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT218851904
Cas No:160040-04-0
常用名:HPV16-E711-20 epitope
IUPAC:(4S)-4-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-4-methylpentanamido]-3-carboxypropanamido]-4-methylpentanamido]-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-4-{[(1S,2R)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid
IUPAC:(4S)-4-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-4-methylpentanamido]-3-carboxypropanamido]-4-methylpentanamido]-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-4-{[(1S,2R)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid
InChI key:HLWKZPMTWSUOSW-NGUZVADMSA-N

分子式:C53H83N11O19S
分子量:1210.37
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
SMILES:CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O

HPV16-E711-20 epitope is a well-known HLA-A*0201-restricted human cytotoxic T lymphocyte (CTL) epitope of the HPV16 E7 protein, demonstrating high-affinity binding to HLA-A2 in vitro.

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