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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL1076586
Molecular formula	C26H23N3O2
IUPAC name	[4-(1H-indole-6-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
Molecular weight	409.489
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.1
Synonyms	AC1MV1XZ SCHEMBL14028477 351858-51-0 Peakdale1_001536 BDBM50312770 ZINC1501732 HMS522F18 piperazine,1-([1,1'-biphenyl]-4-ylcarbonyl)-4-(1h-indol-6-ylcarbonyl)- [4-(1H-indole-6-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone (4-(1H-indole-6-carbonyl)piperazin-1-yl)(biphenyl-4-yl)methanone KB-275017 [ Show all ]
Inchi Key	APHXKHUFVKITGC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2
PubChem CID	3676358
ChEMBL	CHEMBL1076586
IUPHAR	N/A
BindingDB	50312770
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	PMID20137933	BindingDB,ChEMBL

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