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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	CHEMBL1258755
Molecular formula	C20H27N3O2
IUPAC name	9-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-1-one
Molecular weight	341.455
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.0
Synonyms	9-(1-isopropylpiperidin-4-yloxy)-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,2-a]indol-1-one AKYDPJMTCVQONP-UHFFFAOYSA-N 9-(1-Isopropyl-piperidin-4-yloxy)-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-1-one BDBM50327471 SCHEMBL2978274
Inchi Key	AKYDPJMTCVQONP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H27N3O2/c1-14(2)22-10-6-16(7-11-22)25-17-4-5-18-15(12-17)13-19-20(24)21-8-3-9-23(18)19/h4-5,12-14,16H,3,6-11H2,1-2H3,(H,21,24)
PubChem CID	16679701
ChEMBL	CHEMBL1258755
IUPHAR	N/A
BindingDB	50327471
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	9.0 %	PMID20801030	ChEMBL

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