Structural bioinformatics-based prediction of exceptional selectivity of p38 MAP kinase inhibitor PH-797804

Biochemistry

Volumn 48, Issue 27, 2009, Pages 6402-6411

  Xing, Li ^a   Shieh, Huey S ^a   Selness, Shaun R ^a   Devraj, Rajesh V ^a   Walker, John K ^a   Devadas, Balekudru ^a   Hope, Heidi R ^a   Compton, Robert P ^a   Schindler, John F ^a   Hirsch, Jeffrey L ^a   Benson, Alan G ^a   Kurumbail, Ravi G ^a   Stegeman, Roderick A ^a   Williams, Jennifer M ^a   Broadus, Richard M ^a   Walden, Zara ^a   Monahan, Joseph B ^a  

^a PFIZER INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATROPISOMER; BIOLOGICAL FUNCTIONS; CELLULAR ASSAYS; CLINICAL DEVELOPMENT; CONFORMATIONAL FLEXIBILITY; CROSS-REACTIVITY; DIFLUOROPHENYL; GLYCINE RESIDUES; HIGH RESOLUTION CRYSTAL STRUCTURE; HIGH SPECIFICITY; HUMAN KINASE; HYDROPHOBIC POCKETS; INFLAMMATORY CONDITIONS; INHIBITOR COMPLEX; KINASE INHIBITORS; MAP KINASE; MITOGEN ACTIVATED PROTEIN KINASE; MOLECULAR LEVELS; PEPTIDE BONDS; PHASE I; PYRAZOLE; RACEMIC MIXTURES; SAFETY CRITERION; SELECTIVITY RATIO; SEQUENCE MINING; SEQUENCE MOTIFS; STRUCTURAL BIOINFORMATICS; STRUCTURAL COMPARISON;

AMINES; BIOINFORMATICS; CRYSTAL STRUCTURE; HYDROGEN; MINING;

HYDROGEN BONDS;

ABELSON KINASE; CASEIN KINASE IALPHA; CASEIN KINASE IDELTA; CHECKPOINT KINASE 1; CHECKPOINT KINASE 2; CYCLIC AMP DEPENDENT PROTEIN KINASE; CYCLIN DEPENDENT KINASE 6; EPIDERMAL GROWTH FACTOR RECEPTOR; GLYCINE; JANUS KINASE 1; JANUS KINASE 2; JANUS KINASE 3; METHIONINE; MITOGEN ACTIVATED PROTEIN KINASE; MITOGEN ACTIVATED PROTEIN KINASE 1; MITOGEN ACTIVATED PROTEIN KINASE 14; MITOGEN ACTIVATED PROTEIN KINASE P38 INHIBITOR; P38 MITOGEN ACTIVATED PROTEIN KINASE BETA; P38 MITOGEN ACTIVATED PROTEIN KINASE DELTA; P38 MITOGEN ACTIVATED PROTEIN KINASE GAMMA; PH 797804; PROTEIN C RAF; PROTEIN MYT 1; PROTEIN TYROSINE KINASE; PYRIDONE DERIVATIVE; SD 0006; SERUM AND GLUCOCORTICOID REGULATED KINASE 1; THREONINE; UNCLASSIFIED DRUG; UNINDEXED DRUG; VASCULOTROPIN RECEPTOR 2;

ARTICLE; CHEMICAL BOND; CRYSTAL STRUCTURE; DRUG CONFORMATION; DRUG CROSS REACTIVITY; DRUG DESIGN; DRUG POTENCY; DRUG SELECTIVITY; DRUG SPECIFICITY; GENE SEQUENCE; HUMAN; HUMAN CELL; HUMAN GENOME; HYDROGEN BOND; HYDROPHOBICITY; INFLAMMATORY DISEASE; MOLECULAR MODEL; PRIORITY JOURNAL; PROTEIN MOTIF; RACEMIC MIXTURE; STRUCTURAL BIOINFORMATICS;

BENZAMIDES; COMPUTATIONAL BIOLOGY; CRYSTALLOGRAPHY, X-RAY; HUMANS; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR STRUCTURE; P38 MITOGEN-ACTIVATED PROTEIN KINASES; PHOSPHORYLATION; PROTEIN KINASE INHIBITORS; PYRONES; SUBSTRATE SPECIFICITY;

PYRONIA TITHONUS;

EID: 67650066466     PISSN: 00062960     EISSN: None     Source Type: Journal    
DOI: 10.1021/bi900655f     Document Type: Article

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