Name: dBAZ2B
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219251222
Cas No:
常用名:dBAZ2B
IUPAC:(2S,4R)-N-[(2-{[4-({[5-(4-cyanophenyl)-4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-2-yl]methoxy}methyl)cyclohexyl]methoxy}-4-(4-methyl-1,3-thiazol-5-yl)phenyl)methyl]-1-[(2S)-2-[(1-fluorocyclopropyl)formamido]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
IUPAC:(2S,4R)-N-[(2-{[4-({[5-(4-cyanophenyl)-4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-2-yl]methoxy}methyl)cyclohexyl]methoxy}-4-(4-methyl-1,3-thiazol-5-yl)phenyl)methyl]-1-[(2S)-2-[(1-fluorocyclopropyl)formamido]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
InChI key:RGWQKKYWIUGFIR-BJAUDDLSSA-N

分子式:C55H66FN11O6S
分子量:1028.26
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)c(OCC2CCC(COCc3nc(-c4cnn(C)c4)c(-c4ccc(cc4)C#N)n3CCc3cnn(C)c3)CC2)c1
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)c(OCC2CCC(COCc3nc(-c4cnn(C)c4)c(-c4ccc(cc4)C#N)n3CCc3cnn(C)c3)CC2)c1

dBAZ2B是一种BAZ2B PROTAC降解剂，其DC50值为19 nM。(Pink: BAZ2A/B ligand; Black: linker; Blue: CRBN Ligand)

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