Name: S1b3inL1
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219200894
Cas No:3027437-21-1
常用名:S1b3inL1
IUPAC:3-[(3S,6S,9S,12S,15S,18S,24S,27S,30S,36S,39R,45S,48S,51S,56aS)-36-benzyl-12,15,18-tris[(2S)-butan-2-yl]-3,48,51-tris(3-carbamimidamidopropyl)-9-(2-carbamoylethyl)-39-[(carbamoylmethyl)carbamoyl]-24-(hydroxymethyl)-45-[(4-hydroxyphenyl)methyl]-30-[(1H-indol-3-yl)methyl]-27-(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28,31,34,37,43,46,49,52-heptadecaoxo-33-(propan-2-yl)-tetrapentacontahydro-1H-pyrrolo[1,2-m]1-thia-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52-heptadecaazacyclotetrapentacontan-6-yl]propanoic acid
IUPAC:3-[(3S,6S,9S,12S,15S,18S,24S,27S,30S,36S,39R,45S,48S,51S,56aS)-36-benzyl-12,15,18-tris[(2S)-butan-2-yl]-3,48,51-tris(3-carbamimidamidopropyl)-9-(2-carbamoylethyl)-39-[(carbamoylmethyl)carbamoyl]-24-(hydroxymethyl)-45-[(4-hydroxyphenyl)methyl]-30-[(1H-indol-3-yl)methyl]-27-(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28,31,34,37,43,46,49,52-heptadecaoxo-33-(propan-2-yl)-tetrapentacontahydro-1H-pyrrolo[1,2-m]1-thia-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52-heptadecaazacyclotetrapentacontan-6-yl]propanoic acid
InChI key:WNWMLJXIIMUUFW-MCHFNFQSSA-N

分子式:C103H158N30O24S
分子量:2232.64
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(=O)NCC(N)=O
SMILES:[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC2=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(=O)NCC(N)=O

S1b3inL1 是 SARS-CoV-2 刺突蛋白的大环肽抑制剂，能够高亲和力结合刺突蛋白的保守位点，从而抑制多种 SARS-CoV-2 变异株的感染并显示抗病毒活性。

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 ~