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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	CHEMBL3220884
Molecular formula	C19H24N4O
IUPAC name	3-phenyl-N-[N'-(3-pyridin-3-ylpropyl)carbamimidoyl]butanamide
Molecular weight	324.428
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.9
Synonyms	N/A
Inchi Key	BRGLCLCWSZIUEA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H24N4O/c1-15(17-9-3-2-4-10-17)13-18(24)23-19(20)22-12-6-8-16-7-5-11-21-14-16/h2-5,7,9-11,14-15H,6,8,12-13H2,1H3,(H3,20,22,23,24)
PubChem CID	90667426
ChEMBL	CHEMBL3220884
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Intrinsic activity	-0.11 -	MedChemComm, (2014) 5:1:72	ChEMBL
pKb	5.27 -	MedChemComm, (2014) 5:1:72	ChEMBL

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