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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	CHEMBL64021
Molecular formula	C24H30N2O4
IUPAC name	ethyl 4-[3-[4-(3-methylbenzoyl)phenoxy]propyl]piperazine-1-carboxylate
Molecular weight	410.514
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.0
Synonyms	BDBM50220335
Inchi Key	CHEGJFNZXABNBU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H30N2O4/c1-3-29-24(28)26-15-13-25(14-16-26)12-5-17-30-22-10-8-20(9-11-22)23(27)21-7-4-6-19(2)18-21/h4,6-11,18H,3,5,12-17H2,1-2H3
PubChem CID	44304282
ChEMBL	CHEMBL64021
IUPHAR	N/A
BindingDB	50220335
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	3715.0 nM	PMID12113835	BindingDB
Ki	3715.35 nM	PMID12113835	ChEMBL

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