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

Summary for 6I5I

DescriptorDual specificity protein kinase CLK1, 5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine, 1,2-ETHANEDIOL, ... (4 entities in total)
Functional Keywordssplicing kinase, furopyridine, inhibitor, clk, structural genomics, structural genomics consortium, sgc, transferase
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight40681.72
Primary citation
Nemec, V.,Hylsova, M.,Maier, L.,Flegel, J.,Sievers, S.,Ziegler, S.,Schroeder, 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., 2018
PubMed: 30569600 (PDB entries with the same primary citation)
DOI: 10.1002/anie.201810312
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.205200 5.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6i5i
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Molmil generated image of 6i5i
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Molmil generated image of 6i5i
rotated about y axis by 90°
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