Name: Keap1-Nrf2-IN-3
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323025
Cas No:2095066-47-8
常用名:Keap1-Nrf2-IN-3
别名:Keap1-Nrf2-IN-3
IUPAC:5-[(1R,2R)-2-(1-methyl-1H-1,2,3-triazol-4-yl)cyclopropyl]-1-{3'-[(2R)-2-propylpiperidine-1-carbonyl]-[1,1'-biphenyl]-3-yl}-1H-pyrazole-4-carboxylic acid
IUPAC:5-[(1R,2R)-2-(1-methyl-1H-1,2,3-triazol-4-yl)cyclopropyl]-1-{3'-[(2R)-2-propylpiperidine-1-carbonyl]-[1,1'-biphenyl]-3-yl}-1H-pyrazole-4-carboxylic acid
InChI key:ZESJVQYWCZXRPG-LGPLSSKUSA-N

分子式:C31H34N6O3
分子量:538.652
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC[C@@H]1CCCCN1C(=O)c1cccc(c1)-c1cccc(c1)-n1ncc(C(O)=O)c1[C@@H]1C[C@H]1c1cn(C)nn1
SMILES:CCC[C@@H]1CCCCN1C(=O)c1cccc(c1)-c1cccc(c1)-n1ncc(C(O)=O)c1[C@@H]1C[C@H]1c1cn(C)nn1

Keap1-Nrf2-IN-3 is a KEAP1:NRF2 protein protein interaction inhibitor, and with a K d value of 2.5 nM for KEAP1 protein.

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