Name: HL2-m5
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219251216
Cas No:2130846-15-8
常用名:HL2-m5
IUPAC:(3S)-3-carbamoyl-3-[(2S,3R)-2-{[(7R,10S,13S,16S,19S,22S,25S)-22-(2-carboxyethyl)-13-(carboxymethyl)-25-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-acetamido-3-hydroxybutanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-19-methyl-10,16-bis[2-(methylsulfanyl)ethyl]-9,12,15,18,21,24-hexaoxo-2-oxa-5-thia-8,11,14,17,20,23-hexaazabicyclo[25.2.2]hentriaconta-1(29),27,30-trien-7-yl]formamido}-3-hydroxybutanamido]propanoic acid
IUPAC:(3S)-3-carbamoyl-3-[(2S,3R)-2-{[(7R,10S,13S,16S,19S,22S,25S)-22-(2-carboxyethyl)-13-(carboxymethyl)-25-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-acetamido-3-hydroxybutanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]-19-methyl-10,16-bis[2-(methylsulfanyl)ethyl]-9,12,15,18,21,24-hexaoxo-2-oxa-5-thia-8,11,14,17,20,23-hexaazabicyclo[25.2.2]hentriaconta-1(29),27,30-trien-7-yl]formamido}-3-hydroxybutanamido]propanoic acid
InChI key:WASVHPKZZJQGTJ-UDFCJKPSSA-N

分子式:C70H101N15O24S3
分子量:1632.84
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CSCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(OCCSC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(N)=O)cc2)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O
SMILES:CSCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(OCCSC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(N)=O)cc2)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O

HL2-m5 是 sonic hedgehog/patched (Shh/PTCH1) 相互作用的抑制剂，其对 Shh 的 Kd 为 170 nM。HL2-m5 能有效抑制 Hedgehog 信号通路的激活和 Gli 控制基因的转录，IC50 为 230 nM。

市场产品/服务共显示1个结果

您无法确定哪种化合物库最适合您的项目？或者您需要定制解决方案？Anymole随时为您提供帮助。

电话：400820-0310

合作：info@screeningcompound.com

技术支持：tech@screeningcompound.com

客服：service@screeningcompound.com

正在加载 ~