2813260-27-2
Chemical Structure
CDK2-IN-31
- CAS No.: 2813260-27-2
- Formula:C37H52N6O5
- Molecular Weight:660.85
InChIKey: UVZNYNNQQMCMKG-YYLNTOIZSA-N
SMILES: C[C@@H](OCCC1CCCCC1)[C@@H](C(NC)=O)NC([C@H]2C3(CN(C2)C(C4=CN(N=C4)CC5=CC=CC=C5)=O)CN(C3)C([C@@H]6C(C)(C6)C)=O)=O
Biological Activity: CDK2-IN-31 is a CCNE1:CDK2 complex inhibitor with an IC50 of 0.13 μM. CDK2-IN-31 binds to a cryptic allosteric pocket at the CCNE1:CDK2 interface, inducing structural rearrangements of the CDK2 A-loop that disrupt the kinase's active conformation and interfere with substrate binding. CDK2-IN-31 inhibits phosphorylation of retinoblastoma protein 1 (RB1) in CCNE1-dependent ovarian cancer cells. CDK2-IN-31 impairs coenrichment of protein PRC1 with CCNE1-N112C:CDK2 complexes. CDK2-IN-31 can be used for the research of ovarian cancer[1].
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CDK2-IN-31 | 98.22% | CDK2-IN-31 is a CCNE1:CDK2 complex inhibitor with an IC50 of 0.13 μM. CDK2-IN-31 binds to a cryptic allosteric pocket at the CCNE1:CDK2 interface, inducing structural rearrangements of the CDK2 A-loop that disrupt the kinase's active conformation and interfere with substrate binding. CDK2-IN-31 inhibits phosphorylation of retinoblastoma protein 1 (RB1) in CCNE1-dependent ovarian cancer cells. CDK2-IN-31 impairs coenrichment of protein PRC1 with CCNE1-N112C:CDK2 complexes. CDK2-IN-31 can be used for the research of ovarian cancer. | ||||||||||||||||||||
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Keywords
