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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	ciproxifan
Molecular formula	C16H18N2O2
IUPAC name	cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone
Molecular weight	270.332
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.5
Synonyms	4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imidazole BDBM27213 CS-0664 EX-5964 KB-76104 NCGC00165775-02 UNII-5EVQ7IRG99 AC1O4Y0P cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone FUB 359 LS-187638 PDSP2_001264 184025-18-1 AKOS030526676 Ciproxifan (FUB-359) D0I3XA GTPL1265 MolPort-027-720-958 SC-26038 4CA-0550 BRD-K01767299-001-01-6 cyclopropyl 4-(3-(1H-imidazol-4-yl)propyloxy)phenyl ketone EX-A077 L000187 NCGC00165775-03 Y0363 (4-(3-(1H-imidazol-4-yl)propoxy)phenyl)(cyclopropyl)methanone ACQBHJXEAYTHCY-UHFFFAOYSA-N CHEMBL14638 cyclopropyl-[4-[3-(3H-imidazol-4-yl)propoxy]phenyl]methanone FUB-359 Methanone, cyclopropyl(4-(3-(1H-imidazol-4-yl)propoxy)phenyl)- S-7718 BCP04109 Ciproxifan; FUB 359 DTXSID50171532 HY-14567 NCGC00165775-01 SCHEMBL3335184 5EVQ7IRG99 CHEBI:125467 cyclopropyl-(4-(3-1H-imidazol-4-yl)propyloxyphenyl)ketone FT-0707540 LS-186999 PDSP1_001280 ZINC1892860 AKOS005266665 Cyclopropylpyrrol4-[3-(1H-imidazol-4-yl)propoxy] phenylmorphomethanone FUB359 Methanone, cyclopropyl(4-(3-(1H-imidazol-5-yl)propoxy)phenyl)- SB19526 [ Show all ]
Inchi Key	ACQBHJXEAYTHCY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)
PubChem CID	6422124
ChEMBL	CHEMBL14638
IUPHAR	1265
BindingDB	27213
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	<10000.0 nM	PMID15608078, PMID15033391, PMID12606603, PMID18683917, PMID26084539	BindingDB,IUPHAR,ChEMBL

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