Name: SBP-0636457
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322504
Cas No:1422180-49-1
常用名:SBP-0636457
别名:SBP-0636457, SBI-0636457, SB1-0636457
IUPAC:(4S,7S,9aS)-8,8-dimethyl-4-[(2S)-2-(methylamino)propanamido]-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-octahydropyrrolo[2,1-b][1,3]oxazepine-7-carboxamide
IUPAC:(4S,7S,9aS)-8,8-dimethyl-4-[(2S)-2-(methylamino)propanamido]-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-octahydropyrrolo[2,1-b][1,3]oxazepine-7-carboxamide
InChI key:PBGOFGSVVXGJCA-KDJJVYBXSA-N

分子式:C25H36N4O4
分子量:456.587
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CC(C)(C)[C@H](N1C(=O)[C@H](CCO2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]1CCCc2ccccc12
SMILES:[H][C@]12CC(C)(C)[C@H](N1C(=O)[C@H](CCO2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]1CCCc2ccccc12

SBP-0636457 (SB1-0636457) is a SMAC mimetic and an inhibitor of inhibitor of apoptosis (IAP) proteins. It specifically binds to the BIR-domains of IAP proteins with a Ki value of 0.27 μM. SBP-0636457 holds potential for research in the fields of solid tumors and hematologic cancers.

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