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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	histamine
Molecular formula	C5H9N3
IUPAC name	2-(1H-imidazol-5-yl)ethanamine
Molecular weight	111.148
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	-0.7
Synonyms	4-Imidazoleethylamine 820484N8I3 2-(1H-Imidazol-4-yl)-ethylamine AJ-70500 2-(3H-imidazol-4-yl)ethanamine BB 0241907 2631-EP2268638A1 beta-aminothethylglyoxaline 2631-EP2277568A2 BP-11484 2631-EP2287166A2 CCRIS 6535 2631-EP2298772A1 D08040 2631-EP2305668A1 EINECS 200-100-6 2631-EP2314587A1 FT-0627839 NSC-33792 Histamine Dihydrochloride (Salt/Mix) SBB012708 Histamine, Vetec(TM) reagent grade, >=97% Spectrum3_000452 HSDB 3338 Tox21_110166_1 Istamina [3H]histamine KBio2_003025 KBioGR_001580 Lopac0_000595 NCGC00015513-02 NCGC00015513-10 2631-EP2316831A1 .beta.-Aminoethylglyoxaline 51-45-6 163355-EP2284166A1 AB00053481_21 2-(1H-Imidazol-4-yl)ethanamine # ALBB-005968 2-(4-Imidazolyl)ethylamine BCBcMAP01_000250 2631-EP2270002A1 Bio1_000976 2631-EP2277848A1 BSPBio_002124 2631-EP2292620A2 CHEMBL90 2631-EP2301937A1 DivK1c_000308 2631-EP2311801A1 Ergotidine NCGC00093371-03 H7125_SIGMA Opera_ID_1772 Histamine, >=97.0% SDCCGMLS-0066601.P001 Histamium Spectrum_000845 IDI1_000308 WLN: T5M CNJ D2Z KB-220202 KBio2_006461 KS-00000XSS MFCD00005210 NCGC00015513-05 4-(2-Aminoethyl)-1H-imidazole 056H928 714I940 1H-Imidazole-5-ethanamine AC1Q54BV 2-(1H-Imidazol-5-yl)ethylamine ANW-50461 2-imidazol-5-ylethylamine beta-Aminoethylglyoxaline 2631-EP2277566A2 Bio2_000869 2631-EP2286811A1 CAS-51-45-6 2631-EP2298734A2 CTK5C2901 2631-EP2305648A1 DSSTox_RID_76884 2631-EP2311831A1 F411C768-A159-4FC0-A195-291A08BB03AA NINDS_000308 Histamine (DCF) RP00535 Histamine, EuropePharmacopoeia (EP) Reference Standard SPBio_000729 HMS1990G19 Theramine Imidazole-4-ethylamine ZINC388081 KBio2_000457 KBio3_001344 L000292 MolPort-002-042-264 NCGC00015513-08 (1H-imidazol-4-yl)ethylamine 5-Imidazoleethylamine 1416954-63-6 924364-91-0 2-(1H-imidazol-4-yl)ethan-1-amine AKOS000274386 2-(3H-imidazol-4-yl)ethylamine BBL004932 2631-EP2269989A1 beta-Imidazolyl-4-ethylamine 2631-EP2277569A2 BR-47510 2631-EP2292280A1 CHEBI:18295 2631-EP2298776A1 2631-EP2305677A1 Eramin 2631-EP2316459A1 NCGC00015513-11 GTPL1204 NSC33792 Histamine [USAN] SBI-0050577.P004 Histaminum Spectrum4_000960 HY-B1204 TR-018324 Istamina [Italian] KBio2_003893 KBioSS_000457 LS-75835 NCGC00015513-03 2631-EP2371814A1 .beta.-Aminoethylimidazole 64422-25-9 1avn AC-13185 2-(1H-Imidazol-4-yl)ethylamine AM20100377 2-imidazol-4-yl-Ethylamine BDBM50121205 2631-EP2275420A1 Bio1_001465 2631-EP2280001A1 C-5322 2631-EP2295409A1 CS-4697 2631-EP2305260A1 DSSTox_CID_3125 2631-EP2311802A1 NCGC00093371-04 Histamin peremin Histamine, analytical standard SMP1_000151 HMS1362G19 ST073926 IDI1_002144 Y9749 KB-237398 KBio3_000853 L-Histamin base MLS000069447 NCGC00015513-06 Ethylamine, 2-imidazol-4-yl- 4-(2-Aminoethyl)imidazole 1qft AC1Q54BW 2-(3H-Imidazol-4-yl)-ethylamine b-Imidazolyl-4-ethylamine 2-[4-Imidazolyl]ethylamine beta-Aminoethylimidazole 2631-EP2277567A1 bmse000744 2631-EP2287165A2 CCG-204684 2631-EP2298767A1 D04USC 2631-EP2305652A2 DTXSID4023125 2631-EP2314574A1 Free histamine NSC 33792 Histamine Base RTR-018324 Histamine, Free Base Spectrum2_000665 HMS3403G19 Tox21_110166 IN1471 [2-(1H-imidazol-4-yl)ethyl]amine KBio2_001325 KBioGR_000457 Lopac-H-7250 NCGC00015513-01 NCGC00015513-09 163355-EP2270002A1 AB00053481_20 2-(1H-Imidazol-4-yl)ethanamine AKOS009158347 2-(4-Imidazolyl)ethanamine BC205752 2631-EP2269990A1 Bio1_000487 2631-EP2277570A2 BSPBio_001117 2631-EP2292619A1 2631-EP2300422A1 DB05381 2631-EP2308873A1 Ergamine 2631-EP2316824A1 NCGC00093371-02 GTPL1247 NTYJJOPFIAHURM-UHFFFAOYSA-N Histamine, 97% SCHEMBL2279 Histaminum (TN) Spectrum5_000796 I05-0627 UNII-820484N8I3 J-505349 KBio2_005593 KBioSS_001325 MCULE-4970362785 NCGC00015513-04 3h-histamine .beta.-Imidazolyl-4-ethylamine 65592-96-3 1H-Imidazole-4-ethanamine AC1L19ZT 2-(1H-imidazol-5-yl)ethanamine AN-24395 2-Imidazol-4-ylethylamine BDBM7966 2631-EP2277565A2 Bio2_000389 2631-EP2281563A1 C00388 2631-EP2295423A1 CTK1G9684 2631-EP2305640A2 DSSTox_GSID_23125 2631-EP2311803A1 F2173-0575 NCGC00093371-05 Racemic histamine Histamine, base, >=97.0% (NT) SMR000059091 HMS1792G19 STK346752 Imidazole, 4-(2-aminoethyl)- ZERO/004089 KBio1_000308 KBio3_000854 L-histamine MolPort-001-785-597 NCGC00015513-07 [ Show all ]
Inchi Key	NTYJJOPFIAHURM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
PubChem CID	774
ChEMBL	CHEMBL90
IUPHAR	1247, 1204
BindingDB	7966, 50121205
DrugBank	DB05381
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Alpha	1.0 -	PMID14667234	ChEMBL
Change	284.0 %	PMID2959777	ChEMBL
EC50	13.0 nM	PMID12723960	BindingDB,ChEMBL
EC50	45.0 nM	PMID16942032	BindingDB,ChEMBL
EC50	190.0 nM	PMID18950149, PMID27007611	BindingDB,ChEMBL
EC50	190.55 nM	PMID19317445, MedChemComm, (2014) 5:1:72, PMID20409707, PMID19791743	BindingDB,ChEMBL
EC50	191.0 nM	PMID19317445	BindingDB
EC50	199.53 nM	PMID21044842	ChEMBL
Emax	1.0 %	PMID20409707	ChEMBL
IC50	158.0 nM	PMID14667234	BindingDB
IC50	158.49 nM	PMID14667234	ChEMBL
IC50	1000.0 nM	Bioorg. Med. Chem. Lett., (1997) 7:22:2819	ChEMBL
Ki	<10000.0 nM	http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?CMD=search&DB=pubmed, PMID8335064, PMID6146381, PMID12065734	PDSP,BindingDB
Ki	190.0 nM	PMID16554355	PDSP,BindingDB
Ki	1258.92 nM	PMID8903934, PMID7925364	PDSP,BindingDB
Ki	1258.93 nM	PMID11809864	PDSP
Ki	1258.93 - 19952.6 nM	PMID7925364, PMID12065734, PMID16394198, PMID12626648, PMID15206929	IUPHAR
Ki	1258.93 nM	PMID11809864	BindingDB
Ki	2000.0 nM	PMID16554355	PDSP
Ki	2060.0 nM	PMID12626648	PDSP,BindingDB
Ki	6000.0 nM	PMID25993395	BindingDB,ChEMBL
Ki	7010.0 nM	PMID15033391	PDSP,BindingDB
Ki	79432.8 nM	PMID16408006	BindingDB,ChEMBL
Ki	1.58489e+13 nM	PMID14667234	ChEMBL