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GLASS

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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	CIPRALISANT
Molecular formula	C14H20N2
IUPAC name	5-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1H-imidazole
Molecular weight	216.328
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	3.3
Synonyms	GTPL1244 4-[(1R,2R)-2-(5,5-Dimethyl-hex-1-ynyl)-cyclopropyl]-1H-imidazole Cipralisant [INN] SCHEMBL7069804 (1R,2R)-4-(2-(5,5-Dimethylhex-1-ynyl)cyclopropyl)imidazole D0Q5YF 309713XSKW BDBM50074629 HY-106993 4-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-3H-imidazole CHEMBL278462 CS-0027076 UNII-309713XSKW GT-2331 4-((1R,2R)-2-(5,5-Dimethylhex-1-ynyl)cyclopropyl)-1H-imidazole BDBM50222968 LS-191791 5-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1H-imidazole CVKJAXCQPFOAIN-VXGBXAGGSA-N ZINC3823435 213027-19-1 AC1O52EX [ Show all ]
Inchi Key	CVKJAXCQPFOAIN-VXGBXAGGSA-N
Inchi ID	InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)/t11-,12-/m1/s1
PubChem CID	6450823
ChEMBL	CHEMBL278462
IUPHAR	1244
BindingDB	50074629, 50222968
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	BindingDB

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