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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	CHEMBL1632412
Molecular formula	C16H21N3O
IUPAC name	(NZ)-N-[(5-methyl-1H-indol-2-yl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine
Molecular weight	271.364
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.2
Synonyms	N/A
Inchi Key	VOIJIMTXMUBFDD-VLGSPTGOSA-N
Inchi ID	InChI=1S/C16H21N3O/c1-11-3-4-14-13(9-11)10-15(17-14)16(18-20)12-5-7-19(2)8-6-12/h3-4,9-10,12,17,20H,5-8H2,1-2H3/b18-16-
PubChem CID	136141537
ChEMBL	CHEMBL1632412
IUPHAR	N/A
BindingDB	N/A
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	<1000.0 nM	PMID21044842	ChEMBL

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