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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Histamine H2 receptor
Species	Homo sapiens (Human)
Gene	HRH2
Synonym	HH2R H2R Gastric receptor I H2 receptor
Disease	Ulcerative colitis Pain Peptic ulcer Gastroesophageal reflux disease Gastric ulcer Gastric secretory disorders Stomach ulcer Duodenal ulcers Acid-reflux disorders [ Show all ]
Length	359
Amino acid sequence	MAPNGTASSFCLDSTACKITITVVLAVLILITVAGNVVVCLAVGLNRRLRNLTNCFIVSLAITDLLLGLLVLPFSAIYQLSCKWSFGKVFCNIYTSLDVMLCTASILNLFMISLDRYCAVMDPLRYPVLVTPVRVAISLVLIWVISITLSFLSIHLGWNSRNETSKGNHTTSKCKVQVNEVYGLVDGLVTFYLPLLIMCITYYRIFKVARDQAKRINHISSWKAATIREHKATVTLAAVMGAFIICWFPYFTAFVYRGLRGDDAINEVLEAIVLWLGYANSALNPILYAALNRDFRTGYQQLFCCRLANRNSHKTSLRSNASQLSRTQSREPRQQEEKPLKLQVWSGTEVTAPQGATDR
UniProt	P25021
Protein Data Bank	N/A
GPCR-HGmod model	P25021
3D structure model	This predicted structure model is from GPCR-EXP P25021.
BioLiP	N/A
Therapeutic Target Database	T30985
ChEMBL	CHEMBL1941
IUPHAR	263
DrugBank	BE0000112

Ligand

Name	4-Methylhistamine
Molecular formula	C6H11N3
IUPAC name	2-(5-methyl-1H-imidazol-4-yl)ethanamine
Molecular weight	125.175
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	-0.2
Synonyms	2-(4-METHYL-1H-IMIDAZOL-5-YL)ETHAN-1-AMINE 5-(2-Aminoethyl)-4-methylimidazole AKOS022477289 CHEMBL275443 MCULE-8926131767 SCHEMBL606803 2-(5-methyl-1H-imidazol-4-yl)ethanamine 4-Methyl Histamine Dihydrochloride 5-Methylhistamine BDBM22880 FT-0736440 p-methylhistamine ZINC3605034 2-(5-Methyl-4-imidazolyl)ethylamine 5(4)-Methylhistamine AC1L1XS2 CHEBI:74760 L000072 SC-51140 1H-Imidazo-4-ethanamine, 5-methyl- 2-(4-METHYL-1H-IMIDAZOL-5-YL)ETHANAMINE 36376-47-3 (di-hydrochloride) 5-Methyl-1H-imidazole-4-ethanamine ALBB-030504 D02SQF Methylhistamine-4 UGYXPZQILZRKJJ-UHFFFAOYSA-N 2-(5-Methyl-1H-imidazol-4-yl)ethylamine # 4-Methyl-1H-imidazole-5-ethanamine 54ST71P9EE BRD-K70821460-300-01-6 GTPL1269 PDSP1_000400 2-(5-Methyl-4-imidazolyl)ethylamine Dihydrochloride 5(4)-Methylhistamine Dihydrochloride AKOS012036768 LS-78033 SCHEMBL11452941 1H-Imidazole-4-ethanamine, 5-methyl- 2-(5-methyl-1H-imidazol-4-yl)ethan-1-amine 36507-31-0 5-Methyl-1H-imidazole-4-ethanamine Hydrochloride AN-9442 EN300-82322 MolPort-006-803-984 UNII-54ST71P9EE 2-(5-METHYL-3H-IMIDAZOL-4-YL)-ETHYLAMINE AB45417 C17929 IMIDAZOLE, 4-(2-AMINOETHYL)-5-METHYL- PDSP2_000398 [ Show all ]
Inchi Key	UGYXPZQILZRKJJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C6H11N3/c1-5-6(2-3-7)9-4-8-5/h4H,2-3,7H2,1H3,(H,8,9)
PubChem CID	37463
ChEMBL	CHEMBL275443
IUPHAR	1269
BindingDB	22880
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	2884.03 nM	PMID19791743	BindingDB,ChEMBL
EC50	3162.28 nM	PMID21044842	ChEMBL
Intrinsic activity	1.0 -	PMID21044842, PMID27007611	ChEMBL
Ki	7943.28 nM	PMID21044842	ChEMBL

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