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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	CHEMBL106596
Molecular formula	C21H24N2O2
IUPAC name	4-[4-[3-(3-hydroxypiperidin-1-yl)propoxy]phenyl]benzonitrile
Molecular weight	336.435
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.5
Synonyms	BDBM50217330
Inchi Key	BTQCFHMSBTVCNT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H24N2O2/c22-15-17-4-6-18(7-5-17)19-8-10-21(11-9-19)25-14-2-13-23-12-1-3-20(24)16-23/h4-11,20,24H,1-3,12-14,16H2
PubChem CID	44335483
ChEMBL	CHEMBL106596
IUPHAR	N/A
BindingDB	50217330
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	12882.0 nM	PMID12372505	BindingDB
Ki	12882.5 nM	PMID12372505	ChEMBL

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