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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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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	CHEMBL44220
Molecular formula	C10H18N4S
IUPAC name	1-[5-(1H-imidazol-5-yl)pentyl]-3-methylthiourea
Molecular weight	226.342
Hydrogen bond acceptor	2
Hydrogen bond donor	3
XlogP	0.8
Synonyms	SCHEMBL11110967 34042-45-0 BDBM50407372 L013136 Thiourea, N-[5-(1H-imidazol-5-yl)pentyl]-N'-methyl- 1-[5-(1H-imidazol-5-yl)pentyl]-3-methylthiourea N-[5-(1H-Imidazol-4-yl)pentyl]-N'-methylthiourea AC1NQNAJ [ Show all ]
Inchi Key	BHXVXFKQYAHZKJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H18N4S/c1-11-10(15)13-6-4-2-3-5-9-7-12-8-14-9/h7-8H,2-6H2,1H3,(H,12,14)(H2,11,13,15)
PubChem CID	5250783
ChEMBL	CHEMBL44220
IUPHAR	N/A
BindingDB	50407372
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	19952.6 nM	PMID7783156	ChEMBL

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