Name: PROTAC CRABP-II Degrader-1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212080528
Cas No:1225383-40-3
常用名:PROTAC CRABP-II Degrader-1
IUPAC:(2E,4E,6E,8E)-9-[(3E)-3-[({[2-(2-{[(2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido]-4-methylpentanoyl]oxy}ethoxy)ethyl]carbamoyl}methoxy)imino]-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
IUPAC:(2E,4E,6E,8E)-9-[(3E)-3-[({[2-(2-{[(2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido]-4-methylpentanoyl]oxy}ethoxy)ethyl]carbamoyl}methoxy)imino]-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
InChI key:XEMRMMAFXLINDA-XVCXXHFGSA-N

分子式:C42H60N4O9
分子量:764.961
氢键供体数 (HBD):5
氢键受体数 (HBA):10
LogP:2.4562745
SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)OCCOCCNC(=O)CO\N=C1/CCC(C)(C)C(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)=C1C |c:53|
SMILES:CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)OCCOCCNC(=O)CO\N=C1/CCC(C)(C)C(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)=C1C |c:53|

PROTAC CRABP-II Degrader-1 is a potent degrader of cellular retinoic acid binding protein (CRABP-II) based on cIAp1.

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