title: KIDFamMap: a database of kinase-inhibitor-disease family maps for kinase inhibitor selectivity and binding mechanisms.
abstract: Kinases play central roles in signaling pathways and are promising therapeutic targets for many diseases. Designing selective kinase inhibitors is an emergent and challenging task, because kinases share an evolutionary conserved ATP-binding site. KIDFamMap (http://gemdock.life.nctu.edu.tw/KIDFamMap/) is the first database to explore kinase-inhibitor families (KIFs) and kinase-inhibitor-disease (KID) relationships for kinase inhibitor selectivity and mechanisms. This database includes 1208 KIFs, 962 KIDs, 55 603 kinase-inhibitor interactions (KIIs), 35 788 kinase inhibitors, 399 human protein kinases, 339 diseases and 638 disease allelic variants. Here, a KIF can be defined as follows: (i) the kinases in the KIF with significant sequence similarity, (ii) the inhibitors in the KIF with significant topology similarity and (iii) the KIIs in the KIF with significant interaction similarity. The KIIs within a KIF are often conserved on some consensus KIDFamMap anchors, which represent conserved interactions between the kinase subsites and consensus moieties of their inhibitors. Our experimental results reveal that the members of a KIF often possess similar inhibition profiles. The KIDFamMap anchors can reflect kinase conformations types, kinase functions and kinase inhibitor selectivity. We believe that KIDFamMap provides biological insights into kinase inhibitor selectivity and binding mechanisms.
authors.affiliation: Institute of Bioinformatics and Systems Biology, National Chiao Tung University, Hsinchu 30050, Taiwan.
authors.forename: Yi-Yuan
authors.initials: YY
authors.lastname: Chiu
authors.forename: Chih-Ta
authors.initials: CT
authors.lastname: Lin
authors.forename: Jhang-Wei
authors.initials: JW
authors.lastname: Huang
authors.forename: Kai-Cheng
authors.initials: KC
authors.lastname: Hsu
authors.forename: Jen-Hu
authors.initials: JH
authors.lastname: Tseng
authors.forename: Syuan-Ren
authors.initials: SR
authors.lastname: You
authors.forename: Jinn-Moon
authors.initials: JM
authors.lastname: Yang
mesh_terms: D051357:Cyclin-Dependent Kinase 2 / Q000737:chemistry; D062126:Databases, Chemical; D004194:Disease / Q000235:genetics; D006801:Humans; D020407:Internet; D011487:Protein Conformation; D047428:Protein Kinase Inhibitors / Q000737:chemistry* / Q000145:classification; D011494:Protein Kinases / Q000737:chemistry* / Q000235:genetics; D016315:Proto-Oncogene Proteins c-abl / Q000737:chemistry; D011743:Pyrimidines / Q000737:chemistry; D019311:Staurosporine / Q000737:chemistry
chemical_list: D047428:Protein Kinase Inhibitors; D011743:Pyrimidines; D011494:Protein Kinases; D016315:Proto-Oncogene Proteins c-abl; D051357:Cyclin-Dependent Kinase 2; C498826:nilotinib; D019311:Staurosporine