The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition

Journal of Medicinal Chemistry

Volumn 56, Issue 7, 2013, Pages 2874-2884

  Merski, Matthew ^a   Shoichet, Brian K ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

1 PHENYL 2 PROPYN 1 OL; 1,2 BENZISOXAZOLE; 2 (PYRAZOLO 1 YL)ETHANOL; 2 ALLYLPHENOL; 2 AMINO 5 CHLOROTHIAZOLE; 2 BROMO 4,5 DIFLUOROANILINE; 2 CHLORO 4 FLUOROANILINE; 2 CYANOPHENOL; 2 ETHYNYLANILINE; 3 CHLORO 1H PYRAZOLO[3,4B]PYRIDINE; 3 METHYL 5 (TRIFLUOROMETHYL)PYRAZOLE; 3,5 DIMETHYLPYRAZOLE; 4 (TRIFLUOROMETHYL)PYRIDIN 2 OL; 4 BROMOIMIDAZOLE; 4 FLUOROTHIOANISOLE; 4 NITROPHENOL; 4 TRIFLUOROMETHYLIMIDAZOLE; 5 NITROTHIOPHENE 2 CARBONONITRILE; ANILINE; BENZENE; DICYANAMIDE; HISTIDINE; LIGAND; LYSOZYME; NITROBENZENE; PHENOL; PHENYLVINYLSULFIDE; PYRIDINE; TOLUENE; UNCLASSIFIED DRUG; UNINDEXED DRUG;

AMINO ACID SUBSTITUTION; ARTICLE; BINDING AFFINITY; CHEMICAL MODIFICATION; CONFORMATIONAL TRANSITION; DRUG BINDING SITE; HYDROPHOBICITY; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR MODEL; MOLECULAR RECOGNITION; MOLECULAR STABILITY; NONHUMAN; SCORING SYSTEM; X RAY CRYSTALLOGRAPHY;

BINDING SITES; CRYSTALLOGRAPHY; HISTIDINE; LIGANDS; MODELS, MOLECULAR;

EID: 84876256930     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/jm301823g     Document Type: Article

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