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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	CHEMBL104344
Molecular formula	C23H27ClN2O4S
IUPAC name	4-chloro-N-[(3S)-1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-3-yl]benzenesulfonamide
Molecular weight	462.989
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.9
Synonyms	BDBM50119728 N-[(3S)-1-[3-[4-(Cyclopropylcarbonyl)phenoxy]propyl]pyrrolidine-3beta-yl]-4-chlorobenzenesulfonamide 4-Chloro-N-{(S)-1-[3-(4-cyclopropanecarbonyl-phenoxy)-propyl]-pyrrolidin-3-yl}-benzenesulfonamide
Inchi Key	BTCOIJOGNYPDOY-FQEVSTJZSA-N
Inchi ID	InChI=1S/C23H27ClN2O4S/c24-19-6-10-22(11-7-19)31(28,29)25-20-12-14-26(16-20)13-1-15-30-21-8-4-18(5-9-21)23(27)17-2-3-17/h4-11,17,20,25H,1-3,12-16H2/t20-/m0/s1
PubChem CID	44334406
ChEMBL	CHEMBL104344
IUPHAR	N/A
BindingDB	50119728
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	290.0 nM	PMID12372500	BindingDB,ChEMBL

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