Benzimidazole inhibitors induce a DFG-out conformation of never in mitosis gene a-related kinase 2 (Nek2) without binding to the back pocket and reveal a nonlinear structure-activity relationship

Journal of Medicinal Chemistry

Volumn 54, Issue 6, 2011, Pages 1626-1639

  Solanki, Savade ^a   Innocenti, Paolo ^a   Mas Droux, Corine ^b   Boxall, Kathy ^a   Barillari, Caterina ^a,b   Van Montfort, Rob L M ^a,b   Aherne, G Wynne ^a   Bayliss, Richard ^a,b   Hoelder, Swen ^a  

^a IMPERIAL CANCER RESEARCH FUND   (United Kingdom)

^b INSTITUTE OF CANCER RESEARCH   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

4 [5 (1 METHYLPIPERIDIN 4 YLOXY) 1H BENZO[D]IMIDAZOL 1 YL] 2 [1 [2 (TRIFLUOROMETHYL)PHENYL]ETHOXY]BENZOIC ACID; METHYL 4 (5 HYDROXY 1H BENZO[D]IMIDAZOL 1 YL) 2 [1 [2 (TRIFLUOROMETHYL)PHENYL]ETHOXY]BENZOIC ACID; METHYL 4 [5 (1 METHYLPIPERIDIN 4 YLOXY) 1H BENZO[D]IMIDAZOL 1 YL] 2 [1 [2 (TRIFLUOROMETHYL)PHENYL]ETHOXY]BENZOIC ACID; METHYL 4 [5 (4 METHOXYBENZYLOXY) 1H BENZO[D]IMIDAZOL 1 YL] 2 [1 [2 (TRIFLUOROMETHYL)PHENYL]ETHOXY]BENZOIC ACID; METHYL 4 AMINO 2 [1 [2 (TRIFLUOROMETHYL)PHENYL]ETHOXY]BENZOIC ACID; METHYL 4 AMINO 4 [4 (4 METHOXYBENZYLOXY) 2 NITROPHENYLAMINO] 2 [1 [2 (TRIFLUOROMETHYL)PHENYL]ETHOXY]BENZOIC ACID; METHYL 4 NITRO 2 [1 [2 (TRIFLUOROMETHYL)PHENYL]ETHOXY]BENZOIC ACID; NEVER IN MITOSIS GENE A RELATED KINASE 2; POLO LIKE KINASE 1; POLO LIKE KINASE INHIBITOR; PROTEIN SERINE THREONINE KINASE; PROTEIN SERINE THREONINE KINASE INHIBITOR; TERT BUTYL 4 [1 [4 (METHOXYCARBONYL) 3 [1 [2 (TRIFLUOROMETHYL)PHENYL]ETHOXY]PHENYL] 1H BENZO[D]IMIDAZOL 5 YLOXY]PIPERIDINE 1 CARBOXYLIC ACID; UNCLASSIFIED DRUG;

ARTICLE; CRYSTAL STRUCTURE; DRUG CONFORMATION; DRUG DESIGN; DRUG SELECTIVITY; DRUG STRUCTURE; ENZYME INHIBITION; STRUCTURE ACTIVITY RELATION;

ANIMALS; BENZAMIDES; BENZIMIDAZOLES; BINDING SITES; CRYSTALLOGRAPHY, X-RAY; FEMALE; HUMANS; MALE; MICE; MICROSOMES, LIVER; MODELS, MOLECULAR; PHOSPHORYLATION; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN-SERINE-THREONINE KINASES; STEREOISOMERISM; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 79952782394     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/jm1011726     Document Type: Article

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