Name: Tumour-associated MUC1 epitope
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217584577
Cas No:
常用名:Tumour-associated MUC1 epitope
IUPAC:(3S)-3-{[(1S,2R)-1-{[(2S)-5-carbamimidamido-1-[(2S)-2-{[(2S)-1-[(2S)-2-[({[(1S)-1-{[(1S,2R)-1-{[(2S)-1-[(2S)-2-[(2S)-2-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]carbamoyl}methyl)carbamoyl]-2-(1H-imidazol-5-yl)ethyl]carbamoyl}ethyl]carbamoyl}pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamoyl}-2-hydroxypropyl]carbamoyl}-3-{[(2S)-pyrrolidin-2-yl]formamido}propanoic acid
IUPAC:(3S)-3-{[(1S,2R)-1-{[(2S)-5-carbamimidamido-1-[(2S)-2-{[(2S)-1-[(2S)-2-[({[(1S)-1-{[(1S,2R)-1-{[(2S)-1-[(2S)-2-[(2S)-2-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]carbamoyl}methyl)carbamoyl]-2-(1H-imidazol-5-yl)ethyl]carbamoyl}ethyl]carbamoyl}pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamoyl}-2-hydroxypropyl]carbamoyl}-3-{[(2S)-pyrrolidin-2-yl]formamido}propanoic acid
InChI key:PWNGANMXYYXQIH-CQZRLPCDSA-N

分子式:C80H127N25O28
分子量:1887.043
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(O)=O
SMILES:CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(O)=O

Tumour-associated MUC1 epitope是一种具有标志性的生物活性肽。作为高度糖基化的I型跨膜糖蛋白MUC1的一部分，该肽通过特定的胞外结构域展现，该结构域包含20个氨基酸组成的可变数量串联重复序列(VNTR)。在多种人类腺癌及血液恶性肿瘤（如多发性骨髓瘤和B细胞淋巴瘤）中细胞表面表达过量，因此，MUC1是许多免疫治疗策略的关键靶点。

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