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GLASS

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GPCR

Name	Histamine H1 receptor
Species	Homo sapiens (Human)
Gene	HRH1
Synonym	HH1R H1R Hisr H1 receptor
Disease	Vertigo's disease; Meniere's disease Ocular allergy Obesity Nausea; Vomiting Insomnia; Anxiety disorder Insomnia Hypersensitivity reactions; Coughs; Common colds Pain Parkinson's disease Perennial and seasonal allergic rhinitis; Vasomotor rhinitis; Allergic conjunctivitis Vertigo meniere's disease Unspecified Sleep disorders Seasonal and perennial allergic rhinitis and vasomotor rhinitis Rhinitis; Urticaria; Allergy Rhinitis Respiratory disease Respiratory allergies; Cancer Respiratory allergies; Allergic rhinitis Pruritus Nasal congestion Hay fever; Cough Hay fever; Allergic rhinitis Anxiety disorder Anesthesia Allergy Allergic skin disorders Allergic rhinitis; Urticaria; Pruritus Allergic rhinitis; Urticaria Allergic rhinitis Allergic disorders; Itching; Nausea Allergic conjunctivitis Anxiety disorder; Morning sickness Asthma Hay fever Common cold; Allergies Depression Dry cough [ Show all ]
Length	487
Amino acid sequence	MSLPNSSCLLEDKMCEGNKTTMASPQLMPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILGWNHFMQQTSVRREDKCETDFYDVTWFKVMTAIINFYLPTLLMLWFYAKIYKAVRQHCQHRELINRSLPSFSEIKLRPENPKGDAKKPGKESPWEVLKRKPKDAGGGSVLKSPSQTPKEMKSPVVFSQEDDREVDKLYCFPLDIVHMQAAAEGSSRDYVAVNRSHGQLKTDEQGLNTHGASEISEDQMLGDSQSFSRTDSDTTTETAPGKGKLRSGSNTGLDYIKFTWKRLRSHSRQYVSGLHMNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKNCCNEHLHMFTIWLGYINSTLNPLIYPLCNENFKKTFKRILHIRS
UniProt	P35367
Protein Data Bank	3rze
GPCR-HGmod model	P35367
3D structure model	This structure is from PDB ID 3rze.
BioLiP	BL0202178, BL0202179, BL0202180
Therapeutic Target Database	T77913
ChEMBL	CHEMBL231
IUPHAR	262
DrugBank	BE0000442

Ligand

Name	10191-42-1
Molecular formula	C19H22N2
IUPAC name	2-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine
Molecular weight	278.399
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.9
Synonyms	KBio1_000297 NINDS_000297 Spectrum3_000648 (E)-2-(3-(pyrrolidin-1-yl)-1-p-tolylprop-1-enyl)pyridine CBMicro_025332 KBio2_005787 Prestwick1_000262 DTXSID80274469 KBioSS_000651 SPBio_002323 AC1L1KOK KBio2_000651 Oprea1_093114 Spectrum4_000375 CTK0D9342 KBio3_001475 Pyridine, 2-[1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl]- 2-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine FT-0773110 MCULE-7512792589 Spectrum2_000845 CBEQULMOCCWAQT-UHFFFAOYSA-N KBio2_003219 Prestwick0_000262 Spectrum_000171 1-(4-methylphenyl)-1-(2-pyridyl)-3-pyrrolidino prop-1-ene DivK1c_000297 KBioGR_000869 SPBio_000829 [ Show all ]
Inchi Key	CBEQULMOCCWAQT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3
PubChem CID	5588
ChEMBL	N/A
IUPHAR	N/A
BindingDB	86174
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.69 nM	http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?CMD=search&DB=pubmed	PDSP
Ki	1.0 nM	PMID8903934, PMID7925364	PDSP
Ki	1.11 nM	PMID12065734	PDSP
Ki	1.53 nM	PMID12065734	PDSP
Ki	3.01 nM	PMID12626648	PDSP,BindingDB

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