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GPCR

Name	Histamine H3 receptor
Species	Homo sapiens (Human)
Gene	HRH3
Synonym	HH3R H3R H3 receptor GPCR97 G-protein coupled receptor 97
Disease	Obese insulin-resistant disorders Excessive daytime sleepiness Sleep disorders Schizophrenia Pain Obesity Metabolic disorders Mild to moderate alzheimer disease; Dementia Narcolepsy Neurological disease Eating disorder; Epilepsy; Pain Diabetic neuropathy; Musculoskeletal pain Dementia Alcohol use disorders Allergic rhinitis Alzheimer disease Alzheimer disease; Schizophrenia Anxiety disorder Attention deficit hyperactivity disorder Central nervous system disease Cognitive disorders [ Show all ]
Length	445
Amino acid sequence	MERAPPDGPLNASGALAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCTSSAFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMLLVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGAREAAGPEPPPEAQPSPPPPPGCWGCWQKGHGEAMPLHRYGVGEAAVGAEAGEATLGGGGGGGSVASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSFTQRFRLSRDRKVAKSLAVIVSIFGLCWAPYTLLMIIRAACHGHCVPDYWYETSFWLLWANSAVNPVLYPLCHHSFRRAFTKLLCPQKLKIQPHSSLEHCWK
UniProt	Q9Y5N1
Protein Data Bank	N/A
GPCR-HGmod model	Q9Y5N1
3D structure model	This predicted structure model is from GPCR-EXP Q9Y5N1.
BioLiP	N/A
Therapeutic Target Database	T64765
ChEMBL	CHEMBL264
IUPHAR	264
DrugBank	BE0000968

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	2631-EP2300422A1 DB05381 2631-EP2308873A1 Ergamine 2631-EP2316824A1 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 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 CTK1G9684 2631-EP2305640A2 DSSTox_GSID_23125 2631-EP2311803A1 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 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 NCGC00093371-03 2631-EP2298772A1 D08040 2631-EP2305668A1 EINECS 200-100-6 2631-EP2314587A1 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 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 F411C768-A159-4FC0-A195-291A08BB03AA CHEMBL90 2631-EP2301937A1 DivK1c_000308 2631-EP2311801A1 Ergotidine 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 GTPL1204 NSC33792 Histamine [USAN] SBI-0050577.P004 Histaminum Spectrum4_000960 HY-B1204 TR-018324 Istamina [Italian] KBio2_003893 KBioSS_000457 LS-75835 NCGC00015513-03 NCGC00015513-11 CTK5C2901 2631-EP2305648A1 DSSTox_RID_76884 2631-EP2311831A1 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 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- 2631-EP2298776A1 2631-EP2305677A1 Eramin 2631-EP2316459A1 (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 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 Free histamine CS-4697 2631-EP2305260A1 DSSTox_CID_3125 2631-EP2311802A1 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 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 NCGC00093371-02 2631-EP2298767A1 D04USC 2631-EP2305652A2 DTXSID4023125 2631-EP2314574A1 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 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 F2173-0575 [ 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	50121205, 7966
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
Activity	110.0 %	PMID20384344	ChEMBL
EC50	4.074 nM	PMID12825954	ChEMBL
EC50	5.012 nM	PMID21044842	ChEMBL
EC50	9.772 nM	PMID14640553	ChEMBL
EC50	12.88 nM	MedChemComm, (2014) 5:1:72, PMID20409707	BindingDB,ChEMBL
EC50	13.0 nM	PMID27007611	BindingDB,ChEMBL
EC50	15.85 nM	PMID21348462	BindingDB,ChEMBL
EC50	25.0 nM	PMID19317445	BindingDB
EC50	25.1 nM	PMID18950149	BindingDB,ChEMBL
EC50	25.12 nM	PMID19317445, MedChemComm, (2014) 5:1:72, PMID19791743	BindingDB,ChEMBL
EC50	77.0 nM	PMID12723960	BindingDB,ChEMBL
EC50	88.0 nM	PMID16942032	BindingDB,ChEMBL
EC50	640.0 nM	PMID20384344	BindingDB,ChEMBL
Efficacy	1.0 -	PMID12825954	ChEMBL
Emax	1.0 %	PMID20409707	ChEMBL
Intrinsic activity	1.0 -	PMID21044842, PMID14640553	ChEMBL
Kd	10.0 nM	PMID11179434, PMID11179435	IUPHAR
Ki	<10000.0 nM	PMID10347254	PDSP,BindingDB
Ki	2.32 nM	PMID15033391	PDSP,BindingDB
Ki	2.61 nM	PMID15033391	BindingDB
Ki	3.0 nM	PMID11179436	PDSP
Ki	5.01187 - 15.8489 nM	PMID10869375, PMID11284713, PMID11090094, PMID12393057, PMID11179434, PMID14640553	IUPHAR
Ki	5.2 nM	PMID20384344	BindingDB,ChEMBL
Ki	5.2 nM	PMID20384344	PDSP
Ki	5.4 nM	PMID11179434	PDSP,BindingDB
Ki	6.31 nM	PMID22003888	BindingDB,ChEMBL
Ki	9.333 nM	PMID14640553	ChEMBL
Ki	10.0 nM	PMID21044842, PMID15947036	BindingDB,ChEMBL
Ki	11.75 nM	PMID21348462	BindingDB,ChEMBL
Ki	12.8 nM	PMID27692832	ChEMBL
Ki	13.0 nM	PMID27692832	BindingDB
Ki	15.2 nM	PMID10869375	PDSP,BindingDB
Ki	16.0 nM	PMID25993395	BindingDB,ChEMBL
Ki	33.88 nM	PMID12825954	ChEMBL
Selectivity	1.6 -	PMID14640553	ChEMBL