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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	Cgp-36742
Molecular formula	C7H18NO2P
IUPAC name	3-aminopropyl(butyl)phosphinic acid
Molecular weight	179.2
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	-2.7
Synonyms	D0D6FQ LS-173250 SC-51053 3-aminopropyl(butyl)-phosphinic acid BDBM50032982 DTXSID10154063 ONNMDRQRSGKZCN-UHFFFAOYSA-N SGS-742 (3-Amino-propyl)-butyl-phosphinic acid 3-aminopropyl(n-butyl)-phosphinic acid CGP36742 CHEMBL112797 GTPL1085 Phosphinic acid, (3-aminopropyl)butyl- ZINC26982268 123690-78-8 LS-183981 SCHEMBL195133 3-aminopropyl(butyl)phosphinic acid Cgp 36742 CGP36742, >=97% (NMR) DVD-742 PDSP1_001479 SGS742 (3-Aminopropyl)(n-butyl)phosphinic acid 3-aminopropyl(n-butyl)phosphinic acid CTK8G9848 L000169 Phosphinic acid,(3-aminopropyl)butyl- 145537-81-1 AC1L2WMW DB05010 Lu-AE-58479 SGS 742 3-aminopropyl(n-butyl) phosphinic acid GBZ5UC0RME PDSP2_001463 UNII-GBZ5UC0RME (3-Aminopropyl)butylphosphinic acid 3-aminopropyl-butylphosphinic acid [ Show all ]
Inchi Key	ONNMDRQRSGKZCN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)
PubChem CID	130021
ChEMBL	CHEMBL112797
IUPHAR	N/A
BindingDB	50032982
DrugBank	DB05010
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	6.0 %	PMID7650685	ChEMBL

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