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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	methapyrilene
Molecular formula	C14H19N3S
IUPAC name	N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
Molecular weight	261.387
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	2.6
Synonyms	BDBM81469 Pyridine, 2-((2-(dimethylamino)ethyl)-2-thenylamino)- CAS-135-23-9 SBI-0050827.P003 DivK1c_000928 Spectrum3_001902 IDI1_000928 Thenylene L001018 Metapirilene Methapyrilene Solution, 2000 microg/mL in Dichloromethane N,N-Dimethyl-N'-pyrid-2-yl-N'-2-thenylethylenediamine NCGC00015704-03 91-80-5 NSC_4098 Prestwick1_000342 BRD-K47323024-003-15-2 Pyrinistol CCRIS 5429 Sleepwell Histadryl Spectrum_001573 KBio2_004621 Thionylan LS-1929 Metapirileno [INN-Spanish] Methapyrilenum N,N-dimethyl-N'-pyridin-2-yl-N'-[(thiophen-2-yl)methyl]ethane-1,2-diamine 2-((2-(Dimethylamino)ethyl)-2-thenylamino)pyridine NCGC00015704-06 AB00053658 Pyrahistine BSPBio_003464 Rest-on CHEMBL1411979 SPBio_002324 HNJJXZKZRAWDPF-UHFFFAOYSA-N Tenalin base KBioGR_000691 Lullamin (Salt/Mix) methypyrilene NCGC00015704-01 5-22-08-00401 (Beilstein Handbook Reference) NCI-C55550 AC1L1HEP BPBio1_000445 Pyridine, 2-[[2-(dimethylamino)ethyl]-2-thenylamino]- CAS_91-80-5 SCHEMBL19209 DTXSID2023278 Spectrum4_000176 KBio1_000928 Thenylene base Lopac-M-9125 Metapirilene [DCIT] Methapyrilene [INN:BAN] N,N-dimethyl-N'-pyridin-2-yl-N'-(2-thienylmethyl)ethane-1,2-diamine NCGC00015704-04 A 3322 Paradormalene Prestwick2_000342 BRN 0220729 RCRA waste no. U155 CHEBI:6820 Somnicaps (Salt/Mix) Histadyl (Salt/Mix) Tem-Histine (Salt/Mix) KBio2_007189 UNII-A01LX40298 Lulamin Metapyrilene Methapyrilenum [INN-Latin] N-(.alpha.-Pyridyl)-N-(.alpha.-thenyl)-N',N'-dimethylethylenediamine 2-[(2-dimethylaminoethyl)-2-thenylamino]pyridine NCGC00162277-01 AB00053658_12 AH-42 Pyrathyn C11114 Restryl CTK6I0815 Spectrum2_001986 HSDB 4163 Teralin (Salt/Mix) KBioSS_002053 MCULE-7834983827 METHAPYRILENE (SEE ALSO METHAPYRILENE HYDROCHLORIDE 135-23-9) N,N-Dimethyl-N'-2-pyridinyl-N'-(2-thienylmethyl)-1,2-ethanediamine NCGC00015704-02 NINDS_000928 BRD-K47323024-003-05-3 Pyrinistab CCG-204934 Semikon EINECS 202-099-8 Spectrum5_001017 KBio2_002053 Thenylpyramine Lopac0_000851 Metapirileno Methapyrilene, (base) N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine 1,2-Ethanediamine, N,N-dimethyl-N'-2-pyridinyl-N'-(2-thienylmethyl)- NCGC00015704-05 A01LX40298 Prestwick0_000342 Prestwick3_000342 BSPBio_000403 RCRA waste number U155 SPBio_002171 Histase Tenalin KBio3_002968 ZINC2510048 Lullamin Methacon (Salt/Mix) Methapyriline N-(alpha-Pyridyl)-N-(alpha-thenyl)-N',N'-dimethylethylenediamine 2-[[2-(Dimethylamino)ethyl]-2-thenylamino]pyridine NCI-C09018 AB00053658_13 [ Show all ]
Inchi Key	HNJJXZKZRAWDPF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H19N3S/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h3-8,11H,9-10,12H2,1-2H3
PubChem CID	4098
ChEMBL	CHEMBL1411979
IUPHAR	N/A
BindingDB	81469
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	16.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1.802 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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