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GPCR

Name	Histamine H1 receptor
Species	Rattus norvegicus (Rat)
Gene	Hrh1
Synonym	H1 receptor H1R HH1R Hisr
Disease	N/A for non-human GPCRs
Length	486
Amino acid sequence	MSFANTSSTFEDKMCEGNRTAMASPQLLPLVVVLSSISLVTVGLNLLVLYAVHSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLIMTKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLRYRTKTRASATILGAWFFSFLWVIPILGWHHFMPPAPELREDKCETDFYNVTWFKIMTAIINFYLPTLLMLWFYVKIYKAVRRHCQHRQLTNGSLPSFSELKLRSDDTKEGAKKPGRESPWGVLKRPSRDPSVGLDQKSTSEDPKMTSPTVFSQEGERETRPCFRLDIMQKQSVAEGDVRGSKANDQALSQPKMDEQSLNTCRRISETSEDQTLVDQQSFSRTTDSDTSIEPGPGRVKSRSGSNSGLDYIKITWKRLRSHSRQYVSGLHLNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKSCCSEPMHMFTIWLGYINSTLNPLIYPLCNENFKKTFKKILHIRS
UniProt	P31390
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4701
IUPHAR	N/A
DrugBank	N/A

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	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 Prestwick1_000342 BRD-K47323024-003-15-2 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 Pyrahistine 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 BPBio1_000445 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 Prestwick2_000342 BRN 0220729 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 AH-42 Pyrathyn 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 BRD-K47323024-003-05-3 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 Prestwick3_000342 BSPBio_000403 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 BDBM81469 Pyridine, 2-((2-(dimethylamino)ethyl)-2-thenylamino)- [ 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
Ki	4.5 nM	PMID282646	BindingDB

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