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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	CHEMBL3220649
Molecular formula	C16H22N8S
IUPAC name	2-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-1-cyano-3-(2-phenylsulfanylethyl)guanidine
Molecular weight	358.468
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	2.2
Synonyms	N/A
Inchi Key	ASNXLJAURZJRJQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H22N8S/c17-12-21-16(20-10-11-25-13-6-2-1-3-7-13)19-9-5-4-8-14-22-15(18)24-23-14/h1-3,6-7H,4-5,8-11H2,(H2,19,20,21)(H3,18,22,23,24)
PubChem CID	90667246
ChEMBL	CHEMBL3220649
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
Intrinsic activity	0.03 -	MedChemComm, (2014) 5:1:72	ChEMBL
pKb	>5.0 -	MedChemComm, (2014) 5:1:72	ChEMBL

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