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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	CHEMBL257606
Molecular formula	C20H32N6
IUPAC name	2-[1-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(2-piperidin-1-ylethyl)imidazolidin-2-ylidene]propanedinitrile
Molecular weight	356.518
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.2
Synonyms	BDBM50237874 (+/-)-2-(1-(2-(2-methylpyrrolidin-1-yl)ethyl)-3-(2-(piperidin-1-yl)ethyl)imidazolidin-2-ylidene)malononitrile
Inchi Key	BQWBRQKHFWLAJX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H32N6/c1-18-6-5-9-24(18)12-13-26-15-14-25(20(26)19(16-21)17-22)11-10-23-7-3-2-4-8-23/h18H,2-15H2,1H3
PubChem CID	44447985
ChEMBL	CHEMBL257606
IUPHAR	N/A
BindingDB	50237874
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	-8.0 %	PMID18353639	ChEMBL
Inhibition	-4.0 %	PMID18353639	ChEMBL

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