Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 10e

Summary for 6J5L

DescriptorHigh affinity nerve growth factor receptor, N-{2-[({3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indazol-5-yl}amino)methyl]phenyl}methanesulfonamide (3 entities in total)
Functional Keywordstransferase inhibitor, transferase
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight34739.2
Kensuke, A.,Kazutaka, I. (deposition date: 2019-01-11, release date: 2019-07-17, Last modification date: 2019-07-24)
Primary citation
Shirahashi, H.,Toriihara, E.,Suenaga, Y.,Yoshida, H.,Akaogi, K.,Endou, Y.,Wakabayashi, M.,Takashima, M.
The discovery of novel 3-aryl-indazole derivatives as peripherally restricted pan-Trk inhibitors for the treatment of pain.
Bioorg.Med.Chem.Lett., 2019
PubMed: 31235262 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2019.06.018
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.24780 1.1% 2.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution