Name: UbcH5c-IN-1
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT212671604
Cas No:2123480-72-6
常用名:UbcH5c-IN-1
IUPAC:(3aS,9bR)-8-[(2-bromophenyl)methoxy]-6,9-dimethyl-3-methylidene-2H,3H,3aH,4H,5H,9bH-naphtho[1,2-b]furan-2-one
IUPAC:(3aS,9bR)-8-[(2-bromophenyl)methoxy]-6,9-dimethyl-3-methylidene-2H,3H,3aH,4H,5H,9bH-naphtho[1,2-b]furan-2-one
InChI key:IRBNWCSCHCJSLT-LAUBAEHRSA-N

分子式:C22H21BrO3
分子量:413.311
氢键供体数 (HBD):0
氢键受体数 (HBA):2
LogP:6.3954983
SMILES:Cc1cc(OCc2ccccc2Br)c(C)c2[C@@H]3OC(=O)C(=C)[C@@H]3CCc12
SMILES:Cc1cc(OCc2ccccc2Br)c(C)c2[C@@H]3OC(=O)C(=C)[C@@H]3CCc12

UbcH5c-IN-1 is a selective small-molecule Ubiquitin-conjugating enzyme UbcH5c inhibitor (Kd: 283 nM for E2 UbcH5c-IN-1 by covalent binding with Cys85).

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