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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	UNII-10521U3EQA
Molecular formula	C23H31NO3S
IUPAC name	(2R)-1-[2-[4-[4-(3-methoxypropylsulfonyl)phenyl]phenyl]ethyl]-2-methylpyrrolidine
Molecular weight	401.565
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.2
Synonyms	SCHEMBL1128396 (R)-1-{2-[4'-(3-Methoxy-propane-1-sulfonyl)-biphenyl-4-yl]-ethyl}-2-methyl-pyrrolidine BDBM50361233 DTXSID40144654 10521U3EQA ADP-916 (R)-1-{2-[4'-(3-METHOXYPROPAN-1-SULFONYL)BIPHENYL-4-YL]ETHYL}-2-METHYLPYRROLIDIN Pyrrolidine, 1-(2-(4'-((3-methoxypropyl)sulfonyl)(1,1'-biphenyl)-4-yl)ethyl)-2-methyl-, (2R)- 175638-EP2282992A1 ADRZQEOBUFIYAZ-LJQANCHMSA-N CHEMBL1934523 1021169-11-8 [ Show all ]
Inchi Key	ADRZQEOBUFIYAZ-LJQANCHMSA-N
Inchi ID	InChI=1S/C23H31NO3S/c1-19-5-3-15-24(19)16-14-20-6-8-21(9-7-20)22-10-12-23(13-11-22)28(25,26)18-4-17-27-2/h6-13,19H,3-5,14-18H2,1-2H3/t19-/m1/s1
PubChem CID	24900259
ChEMBL	CHEMBL1934523
IUPHAR	N/A
BindingDB	50361233
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	>50.0 %	PMID22172695	ChEMBL

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