Name: BMSpep-57
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322704
Cas No:1629655-80-6
常用名:BMSpep-57
IUPAC:2-{[(3S,6S,9S,12S,15S,18S,21S,24S,27S,30R,36S,39S,42S,47aS)-36-benzyl-21,24-dibutyl-27-(3-carbamimidamidopropyl)-42-(carbamoylmethyl)-9,15-bis(hydroxymethyl)-3-[(1H-imidazol-5-yl)methyl]-12,18-bis[(1H-indol-3-yl)methyl]-20,23,38,39-tetramethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28,34,37,40,43-tetradecaoxo-hexatetracontahydropyrrolo[1,2-m]1-thia-4,7,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaazacyclopentatetracontan-30-yl]formamido}acetamide
IUPAC:2-{[(3S,6S,9S,12S,15S,18S,21S,24S,27S,30R,36S,39S,42S,47aS)-36-benzyl-21,24-dibutyl-27-(3-carbamimidamidopropyl)-42-(carbamoylmethyl)-9,15-bis(hydroxymethyl)-3-[(1H-imidazol-5-yl)methyl]-12,18-bis[(1H-indol-3-yl)methyl]-20,23,38,39-tetramethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28,34,37,40,43-tetradecaoxo-hexatetracontahydropyrrolo[1,2-m]1-thia-4,7,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaazacyclopentatetracontan-30-yl]formamido}acetamide
InChI key:CQENCADPYMYPOU-BYUPMXPTSA-N

分子式:C89H126N24O19S
分子量:1868.2
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC2=O)C(=O)NCC(N)=O
SMILES:[H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC2=O)C(=O)NCC(N)=O

BMSpep-57, a potent macrocyclic peptide inhibitor, competitively disrupts the PD-1/PD-L1 interaction, demonstrating a significant inhibitory concentration (IC50) of 7.68 nM. It exhibits binding affinity towards PD-L1 with dissociation constants (Kd) of 19 nM and 19.88 nM in MicroScale Thermophoresis (MST) and Surface Plasmon Resonance (SPR) assays, respectively. This compound enhances T cell functionality by promoting Interleukin-2 (IL-2) production within Peripheral Blood Mononuclear Cells (PBMCs).

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？Anymol随时为您提供帮助。

电话：400-820-0310

合作：info@screeningcompound.com

技术支持：tech@screeningcompound.com

客服：service@screeningcompound.com

正在加载 ~