Name: Ub4ix
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218903959
Cas No:
常用名:Ub4ix
IUPAC:2-[(3R,6S,9S,12S,15S,21S,24S,27S,30S,33S,36S,39R)-6-[(2S)-butan-2-yl]-3-[(carbamoylmethyl)carbamoyl]-24,27-bis(carboxymethyl)-21-(hydroxymethyl)-33-[(4-hydroxyphenyl)methyl]-9,12,39-tris[(1H-indol-3-yl)methyl]-30,36-bis(2-methylpropyl)-5,8,11,14,17,20,23,26,29,32,35,38,41-tridecaoxo-1-thia-4,7,10,13,16,19,22,25,28,31,34,37,40-tridecaazacyclodotetracontan-15-yl]acetic acid
IUPAC:2-[(3R,6S,9S,12S,15S,21S,24S,27S,30S,33S,36S,39R)-6-[(2S)-butan-2-yl]-3-[(carbamoylmethyl)carbamoyl]-24,27-bis(carboxymethyl)-21-(hydroxymethyl)-33-[(4-hydroxyphenyl)methyl]-9,12,39-tris[(1H-indol-3-yl)methyl]-30,36-bis(2-methylpropyl)-5,8,11,14,17,20,23,26,29,32,35,38,41-tridecaoxo-1-thia-4,7,10,13,16,19,22,25,28,31,34,37,40-tridecaazacyclodotetracontan-15-yl]acetic acid
InChI key:YJXMJZDKFPZVBL-BSZGTXCISA-N

分子式:C84H106N18O23S
分子量:1767.94
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CSC[C@H](NC1=O)C(=O)NCC(N)=O)[C@@H](C)CC
SMILES:[H][C@]1(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CSC[C@H](NC1=O)C(=O)NCC(N)=O)[C@@H](C)CC

Ub4ix 是DUB/26S 蛋白酶体 (26Sproteasome) 的一种抑制剂，能够防止 K48 连接的 Ub 链被去泛素化酶 (DUBs) 切割，从而避免了 Ub 标记蛋白的蛋白酶体降解。此外，Ub4ix 在降低 Hela 细胞的活性及诱导细胞凋亡 (apoptosis) 方面表现出效力，其 IC50 值为1.6 μM。

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