Name: E3 ligase Ligand 14
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212667665
Cas No:2241489-43-8
常用名:E3 ligase Ligand 14
IUPAC:tert-butyl N-[(1S)-1-{[(1S)-1-cyclohexyl-2-[(2S,4S)-4-(3-hydroxyphenoxy)-2-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl]carbamoyl}ethyl]-N-methylcarbamate
IUPAC:tert-butyl N-[(1S)-1-{[(1S)-1-cyclohexyl-2-[(2S,4S)-4-(3-hydroxyphenoxy)-2-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl]carbamoyl}ethyl]-N-methylcarbamate
InChI key:ZAGJVXJUYODMFQ-QEXUPYAZSA-N

分子式:C38H52N4O7
分子量:676.855
氢键供体数 (HBD):3
氢键受体数 (HBA):6
LogP:5.1070533
SMILES:C[C@H](N(C)C(=O)OC(C)(C)C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)Oc1cccc(O)c1
SMILES:C[C@H](N(C)C(=O)OC(C)(C)C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)Oc1cccc(O)c1

E3 ligase Ligand 14 is a ligand that binds to E3 ubiquitin ligase and can be conjugated to a protein ligand via a linker to create PROTACs. These PROTACs are capable of promoting ubiquitination-mediated degradation of cancer-promoting proteins[1].

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