Successful virtual screening for a submicromolar antagonist of the neurokinin-1 receptor based on a ligand-supported homology model

Journal of Medicinal Chemistry

Volumn 47, Issue 22, 2004, Pages 5381-5392

  Evers, Andreas ^a,b   Klebe, Gerhard ^a  

^a PHILIPPS UNIVERSITY MARBURG   (Germany)

^b SANOFI AVENTIS DEUTSCHLAND GMBH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

2 BENZHYDRYL 3 (2 METHOXYBENZYLAMINO) 1 AZABICYCLO[2.2.2]OCTANE; 2 BENZYL 1 (3,5 DIMETHYLBENZOYL) 4 (4 QUINOLINYLMETHYLAMINO)PIPERIDINE; 3 (2 METHOXYBENZYLAMINO) 2 PHENYLPIPERIDINE; 5 [[3 [3,5 BIS(TRIFLUOROMETHYL)BENZYLOXY] 2 PHENYL 1 PIPERIDINYL]METHYL] 1,2 DIHYDRO 3H 1,2,4 TRIAZOL 3 ONE; [2 METHOXY 5 (1 TETRAZOLYL)BENZYL](2 PHENYL 3 PIPERIDINYL)AMINE; ASN 1377642; G PROTEIN COUPLED RECEPTOR; L 709210; LIGAND; NEUROKININ 1 RECEPTOR; NEUROKININ 1 RECEPTOR ANTAGONIST; RHODOPSIN; UNCLASSIFIED DRUG;

ANIMAL CELL; ARTICLE; BINDING AFFINITY; BINDING SITE; CHO CELL; CRYSTAL STRUCTURE; DATA BASE; DRUG DESIGN; HYDROGEN BOND; MODEL; NONHUMAN; NUCLEOTIDE SEQUENCE; PHARMACOPHORE; VALIDATION PROCESS; X RAY;

AMINO ACID SEQUENCE; ANILINE COMPOUNDS; BINDING SITES; BIPHENYL COMPOUNDS; CRYSTALLOGRAPHY, X-RAY; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR SEQUENCE DATA; RECEPTORS, NEUROKININ-1; SEQUENCE HOMOLOGY, AMINO ACID; STRUCTURE-ACTIVITY RELATIONSHIP; TRIAZOLES;

EID: 6044260116     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm0311487     Document Type: Article

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