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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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Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL64667
Molecular formula	C24H37N3O3
IUPAC name	1-[4-[3-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propoxy]phenyl]hexan-1-one
Molecular weight	415.578
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.7
Synonyms	BDBM50220099 4-[3-(4-Hexanoylphenoxy)propyl]piperazinopyrrolizinoketone
Inchi Key	BHZVLTKKVOPLTE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H37N3O3/c1-2-3-4-8-23(28)21-9-11-22(12-10-21)30-20-7-13-25-16-18-27(19-17-25)24(29)26-14-5-6-15-26/h9-12H,2-8,13-20H2,1H3
PubChem CID	44304310
ChEMBL	CHEMBL64667
IUPHAR	N/A
BindingDB	50220099
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	14791.0 nM	PMID12113835	BindingDB
Ki	14791.1 nM	PMID12113835	ChEMBL

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