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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	Thioperamide
Molecular formula	C15H24N4S
IUPAC name	N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide
Molecular weight	292.445
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	2.4
Synonyms	C17933 GTPL1267 MolPort-023-275-907 NCGC00015988-02 QKDDJDBFONZGBW-UHFFFAOYSA-N AKOS030228083 L000596 N-Cyclohexyl-4-(1H-imidazol-5-yl)-1-piperidinecarbothioamide NCGC00015988-05 Thioperamide maleate 106243-16-7 BDBM22914 DTXSID50147555 LS-114470 N-Cyclohexyl-4-(imidazol-4-yl)-1-piperidinecarbothioamide NCGC00024704-02 ZINC13108134 AC1MI071 CCG-205288 II4319BWUI MR 12842 NCGC00015988-03 SCHEMBL2235762 API0007635 CHEMBL260374 Lopac-T-123 N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide NCGC00015988-11 Tocris-0644 BRD-K63874012-103-01-5 FJZ MolPort-015-163-994 NCGC00015988-01 NCGC00024704-03 AKOS024458593 CHEBI:81391 KS-000001KM N-Cyclohexy-4-(imidazol-4-yl)-1-piperidinecarbothioamide NCGC00015988-04 1-Piperidinecarbothioamide, N-cyclohexyl-4-(1H-imidazol-4-yl)- B6390 D05FYA Lopac0_001214 N-cyclohexyl-4-(3H-imidazol-4-yl)piperidine-1-carbothioamide NCGC00024704-01 UNII-II4319BWUI [ Show all ]
Inchi Key	QKDDJDBFONZGBW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
PubChem CID	3035905
ChEMBL	CHEMBL260374
IUPHAR	1267
BindingDB	22914
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	<10000.0 nM	PMID24650714, PMID12606603, PMID15033391, PMID18683917, PMID7925364	PDSP,BindingDB,ChEMBL
Ki	>10000.0 nM	PMID24650714	BindingDB

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