Identification of Ligand Binding Hot Spots of the Histamine H1 Receptor following Structure-Based Fragment Optimization

Journal of Medicinal Chemistry

Volumn 59, Issue 19, 2016, Pages 9047-9061

  Kuhne, Sebastiaan ^a   Kooistra, Albert J ^a   Bosma, Reggie ^a   Bortolato, Andrea ^b   Wijtmans, Maikel ^a   Vischer, Henry F ^a   Mason, Jonathan S ^b   De Graaf, Chris ^a   De Esch, Iwan J P ^a   Leurs, Rob ^a  

^a AMSTERDAM INSTITUTE FOR MOLECULES   (Netherlands)

^b Heptares Therapeutics Ltd   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

1 BENZYL 2 (2 CHLOROETHOXY)BENZENE; 1 BENZYL 2 (3 CHLOROPROPOXY)BENZENE; 1 METHYL 4 PHENOXYPIPERIDINE FUMARATE; 1 [2 (2 BENZYLPHENOXY)ETHYL]AZEPANE; 1 [2 (2 BENZYLPHENOXY)ETHYL]AZETIDINE FUMARATE; 1 [2 (2 BENZYLPHENOXY)ETHYL]PIPERIDINE; 1 [2 (2 BENZYLPHENOXY)ETHYL]PYRROLIDINE; 1 [3 (2 BENZYLPHENOXY)PROPYL]AZEPANE; 1 [3 (2 BENZYLPHENOXY)PROPYL]AZETIDINE FUMARATE; 1 [3 (2 BENZYLPHENOXY)PROPYL]PIPERIDINE; 1 [3 (2 BENZYLPHENOXY)PROPYL]PYRROLIDINE; 2 (2 BENZYLPHENOXY) N METHYLETHAN 1 AMINE FUMARATE; 2 (2 BENZYLPHENOXY) N,N DIMETHYLETHAN 1 AMINE FUMARATE; 2 (2 BENZYLPHENOXY)ETHAN 1 AMINE HEMIFUMARATE; 3 (2 BENZYLPHENOXY) N METHYLPROPAN 1 AMINE FUMARATE; 3 (2 BENZYLPHENOXY) N,N DIMETHYLPROPAN 1 AMINE FUMARATE; 3 (2 BENZYLPHENOXY)PROPAN 1 AMINE FUMARATE; 4 (2 BENZYLPHENOXY) 1 METHYLPIPERIDINE FUMARATE; 4 (2 BENZYLPHENOXY) 1,1 DIMETHYLPIPERIDIN 1 IUM IODIDE; 4 (2 BENZYLPHENOXY)PIPERIDINE FUMARATE; 4 (3 BENZYLPHENOXY)PIPERIDINE FUMARATE; 4 (4 BENZYLPHENOXY)PIPERIDINE HYDROCHLORIDE; 4 ([1,1' BIPHENYL] 2 YLOXY)PIPERIDINE HYDROCHLORIDE; 4 PHENOXYPIPERIDINE HYDROCHLORIDE; 4 [2 (4 CHLOROBENZYL)PHENOXY] 1 METHYLPIPERIDINE FUMARATE; 4 [2 (4 CHLOROBENZYL)PHENOXY]PIPERIDINE FUMARATE; HISTAMINE H1 RECEPTOR ANTAGONIST; TERT BUTYL 4 [(METHYLSULFONYL)OXY]PIPERIDINE 1 CARBOXYLATE; TERT BUTYL 4 [2 (4 CHLOROBENZYL)PHENOXY]PIPERIDINE 1 CARBOXYLATE; UNCLASSIFIED DRUG; UNINDEXED DRUG; AMINE; HISTAMINE H1 RECEPTOR; LIGAND; MOLECULAR LIBRARY; PROTEIN BINDING;

ARTICLE; CHEMICAL MUTAGENESIS; COMPUTER MODEL; DRUG BINDING SITE; DRUG DESIGN; DRUG IDENTIFICATION; DRUG RECEPTOR BINDING; ENERGY TRANSFER; LIGAND BINDING; STRUCTURE ACTIVITY RELATION; BINDING SITE; CHEMISTRY; HEK293 CELL LINE; HUMAN; METABOLISM; MOLECULAR LIBRARY; MOLECULAR MODEL; PHARMACOLOGY; X RAY CRYSTALLOGRAPHY;

AMINES; BINDING SITES; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; HEK293 CELLS; HUMANS; LIGANDS; MODELS, MOLECULAR; PROTEIN BINDING; RECEPTORS, HISTAMINE H1; SMALL MOLECULE LIBRARIES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84991287591     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/acs.jmedchem.6b00981     Document Type: Article

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