Large-Scale Evaluation of CavBase for Analyzing the Polypharmacology of Kinase Inhibitors

被引：6
作者：
Kalliokoski, Tuomo [1 ]
Vulpetti, Anna [1 ]
机构：
[1] Novartis Inst Biomed Res, CADD, Global Discovery Chem, CH-4002 Basel, Switzerland
来源：
MOLECULAR INFORMATICS | 2011年 / 30卷 / 11-12期
关键词：
CavBase; Polypharmacology; Kinase; Inhibitor; Binding site; LIGAND-BINDING-SITES; PROTEIN STRUCTURES; SIMILARITY; DATABASE;
D O I：
10.1002/minf.201100112
中图分类号：
R914 [药物化学];
学科分类号：
100701 ;
摘要：
[No abstract available]
引用
收藏
页码：923 / 925
页数：3
相关论文
共 19 条
  • [1] [Anonymous], 2010, MOL OPERATING ENV
  • [2] A common reference framework for analyzing/comparing proteins and ligands. Fingerprints for ligands and proteins (FLAP): Theory and application
    Baroni, Massimo
    Cruciani, Gabriele
    Sciabola, Simone
    Perruccio, Francesca
    Mason, Jonathan S.
    [J]. JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2007, 47 (02) : 279 - 294
  • [3] The Pfam protein families database
    Finn, Robert D.
    Mistry, Jaina
    Tate, John
    Coggill, Penny
    Heger, Andreas
    Pollington, Joanne E.
    Gavin, O. Luke
    Gunasekaran, Prasad
    Ceric, Goran
    Forslund, Kristoffer
    Holm, Liisa
    Sonnhammer, Erik L. L.
    Eddy, Sean R.
    Bateman, Alex
    [J]. NUCLEIC ACIDS RESEARCH, 2010, 38 : D211 - D222
  • [4] Relibase:: Design and development of a database for comprehensive analysis of protein-ligand interactions
    Hendlich, M
    Bergner, A
    Günther, J
    Klebe, G
    [J]. JOURNAL OF MOLECULAR BIOLOGY, 2003, 326 (02) : 607 - 620
  • [5] LIGSITE: Automatic and efficient detection of potential small molecule-binding sites in proteins
    Hendlich, M
    Rippmann, F
    Barnickel, G
    [J]. JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 1997, 15 (06) : 359 - +
  • [6] A new bioinformatic approach to detect common 3D sites in protein structures
    Jambon, M
    Imberty, A
    Deléage, G
    Geourjon, C
    [J]. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2003, 52 (02) : 137 - 145
  • [7] A quantitative analysis of kinase inhibitor selectivity
    Karaman, Mazen W.
    Herrgard, Sanna
    Treiber, Daniel K.
    Gallant, Paul
    Atteridge, Corey E.
    Campbell, Brian T.
    Chan, Katrina W.
    Ciceri, Pietro
    Davis, Mindy I.
    Edeen, Philip T.
    Faraoni, Raffaella
    Floyd, Mark
    Hunt, Jeremy P.
    Lockhart, Daniel J.
    Milanov, Zdravko V.
    Morrison, Michael J.
    Pallares, Gabriel
    Patel, Hitesh K.
    Pritchard, Stephanie
    Wodicka, Lisa M.
    Zarrinkar, Patrick P.
    [J]. NATURE BIOTECHNOLOGY, 2008, 26 (01) : 127 - 132
  • [8] Relating protein pharmacology by ligand chemistry
    Keiser, Michael J.
    Roth, Bryan L.
    Armbruster, Blaine N.
    Ernsberger, Paul
    Irwin, John J.
    Shoichet, Brian K.
    [J]. NATURE BIOTECHNOLOGY, 2007, 25 (02) : 197 - 206
  • [9] How to measure the similarity between protein ligand-binding sites?
    Kellenberger, Esther
    Schalon, Claire
    Rognan, Didier
    [J]. CURRENT COMPUTER-AIDED DRUG DESIGN, 2008, 4 (03) : 209 - 220
  • [10] Functional classification of protein kinase binding sites using cavbase
    Kuhn, Daniel
    Weskamp, Nils
    Hullermeier, Eyke
    Klebe, Gerhard
    [J]. CHEMMEDCHEM, 2007, 2 (10) : 1432 - 1447
12