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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	CHEMBL61070
Molecular formula	C23H34N2O4
IUPAC name	ethyl 4-[3-[4-(cyclohexanecarbonyl)phenoxy]propyl]piperazine-1-carboxylate
Molecular weight	402.535
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.1
Synonyms	BDBM50220405
Inchi Key	CFANDXVYVGVAJZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H34N2O4/c1-2-28-23(27)25-16-14-24(15-17-25)13-6-18-29-21-11-9-20(10-12-21)22(26)19-7-4-3-5-8-19/h9-12,19H,2-8,13-18H2,1H3
PubChem CID	44304088
ChEMBL	CHEMBL61070
IUPHAR	N/A
BindingDB	50220405
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	7943.0 nM	PMID12113835	BindingDB
Ki	7943.28 nM	PMID12113835	ChEMBL

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