7M2F

CDK2 with compound 14 inhibitor with carboxylate

Summary for 7M2F

Entry DOI	10.2210/pdb7m2f/pdb
Descriptor	Cyclin-dependent kinase 2, [(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid (3 entities in total)
Functional Keywords	cdk2, cdk9, kinase inhibitor, signaling protein, transferase-inhibitor complex, transferase/inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	34440.03
Authors	Longenecker, K.L.,Qiu, W.,Korepanova, A.,Tong, Y. (deposition date: 2021-03-16, release date: 2021-07-07, Last modification date: 2023-10-18)
Primary citation	Tong, Y.,Florjancic, A.S.,Clark, R.F.,Lai, C.,Mastracchio, A.,Zhu, G.D.,Smith, M.L.,Kovar, P.J.,Shaw, B.,Albert, D.H.,Qiu, W.,Longenecker, K.L.,Liu, X.,Olson, A.M.,Osterling, D.J.,Tahir, S.K.,Phillips, D.C.,Leverson, J.D.,Souers, A.J.,Penning, T.D. Balancing Properties with Carboxylates: A Lead Optimization Campaign for Selective and Orally Active CDK9 Inhibitors. Acs Med.Chem.Lett., 12:1108-1115, 2021 Cited by PubMed: 34267880 DOI: 10.1021/acsmedchemlett.1c00161 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.632 Å)

Structure validation