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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL60559
Molecular formula	C24H31N3O3S
IUPAC name	(2R)-2-amino-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-3-thiophen-3-ylpropan-1-one
Molecular weight	441.59
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.5
Synonyms	BDBM50220452
Inchi Key	AXEYQIQVIRZLKE-JOCHJYFZSA-N
Inchi ID	InChI=1S/C24H31N3O3S/c25-22(16-18-8-15-31-17-18)24(29)27-12-10-26(11-13-27)9-1-14-30-21-6-4-20(5-7-21)23(28)19-2-3-19/h4-8,15,17,19,22H,1-3,9-14,16,25H2/t22-/m1/s1
PubChem CID	44304313
ChEMBL	CHEMBL60559
IUPHAR	N/A
BindingDB	50220452
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	46773.5 nM	PMID12113836	ChEMBL
Ki	46774.0 nM	PMID12113836	BindingDB

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