Name: SS148
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT220913681
Cas No:1985669-27-9
常用名:SS148
IUPAC:(2S)-2-amino-4-({[(2S,3S,4R,5R)-5-{4-amino-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-3,4-dihydroxyoxolan-2-yl]methyl}sulfanyl)butanoic acid
IUPAC:(2S)-2-amino-4-({[(2S,3S,4R,5R)-5-{4-amino-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-3,4-dihydroxyoxolan-2-yl]methyl}sulfanyl)butanoic acid
InChI key:InChIKey=XLTWYAYAFLGUEQ-OPYVMVOTSA-N

分子式:C16H20N6O5S
分子量:408.43
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C#N)c2c(N)ncnc12)C(O)=O
SMILES:N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C#N)c2c(N)ncnc12)C(O)=O

SS148 is an nsp14/nsp16 MTase inhibitor. It also showed some degree of selectivity against human protein MTases, an indication of great potential for chemical optimization towards more potent and selective inhibitors of coronavirus MTases.

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