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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	CHEMBL374675
Molecular formula	C27H27FN2O4
IUPAC name	2-[2-[4-[6-fluoro-1-(furan-3-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
Molecular weight	462.521
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.3
Synonyms	BDBM50156876 SCHEMBL5340936 2-{2-[4-(6-fluoro-1-furan-3-ylmethyl-1H-indol-3-yl)piperidin-1-yl]ethoxy}benzoic acid
Inchi Key	XUJYHTDMGGZORQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H27FN2O4/c28-21-5-6-22-24(17-30(25(22)15-21)16-19-9-13-33-18-19)20-7-10-29(11-8-20)12-14-34-26-4-2-1-3-23(26)27(31)32/h1-6,9,13,15,17-18,20H,7-8,10-12,14,16H2,(H,31,32)
PubChem CID	11385692
ChEMBL	CHEMBL374675
IUPHAR	N/A
BindingDB	50156876
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	880.0 nM	PMID15566302	BindingDB,ChEMBL

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