6I5L

Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN316 (derivative of compound 12h)

Summary for 6I5L

Entry DOI	10.2210/pdb6i5l/pdb
Descriptor	Dual specificity protein kinase CLK1, PHOSPHATE ION, 3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine, ... (5 entities in total)
Functional Keywords	splicing kinase, furopyridine, inhibitor, clk, structural genomics, structural genomics consortium, sgc, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	3
Total formula weight	120665.17
Authors	Chaikuad, A.,Arrowsmith, C.H.,Edwards, A.M.,Bountra, C.,Paruch, K.,Knapp, S.,Structural Genomics Consortium (SGC) (deposition date: 2018-11-13, release date: 2019-01-09, Last modification date: 2024-01-24)
Primary citation	Nemec, V.,Hylsova, M.,Maier, L.,Flegel, J.,Sievers, S.,Ziegler, S.,Schroder, M.,Berger, B.T.,Chaikuad, A.,Valcikova, B.,Uldrijan, S.,Drapela, S.,Soucek, K.,Waldmann, H.,Knapp, S.,Paruch, K. Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway. Angew. Chem. Int. Ed. Engl., 58:1062-1066, 2019 Cited by PubMed: 30569600 DOI: 10.1002/anie.201810312 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.55 Å)

Structure validation