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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	CHEMBL217053
Molecular formula	C18H13BrN2O4
IUPAC name	2-[4-bromo-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetic acid
Molecular weight	401.216
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.5
Synonyms	AKOS030574625 SCHEMBL1994430 870809-73-7 BDBM50200271 CTK3C5717 4-bromo-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxyacetic acid Acetic acid, [4-bromo-2-[(1-phenyl-1H-pyrazol-4-yl)carbonyl]phenoxy]- DTXSID10469987 [ Show all ]
Inchi Key	DMFOOUGJUFPBOG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H13BrN2O4/c19-13-6-7-16(25-11-17(22)23)15(8-13)18(24)12-9-20-21(10-12)14-4-2-1-3-5-14/h1-10H,11H2,(H,22,23)
PubChem CID	11647012
ChEMBL	CHEMBL217053
IUPHAR	N/A
BindingDB	50200271
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	>30.0 %	PMID17154491	ChEMBL

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