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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	Cavia porcellus (Guinea pig)
Gene	HRH2
Synonym	Gastric receptor I H2R HH2R
Disease	N/A for non-human GPCRs
Length	359
Amino acid sequence	MAFNGTVPSFCMDFTVYKVTISVILIILILVTVAGNVVVCLAVGLNRRLRSLTNCFIVSLAVTDLLLGLLVLPFSAIYQLSCKWSFSKVFCNIYTSLDVMLCTASILNLFMISLDRYCAVTDPLRYPVLITPARVAISLVFIWVISITLSFLSIHLGWNSRNETSKDNDTIVKCKVQVNEVYGLVDGLVTFYLPLLIMCITYFRIFKIAREQARRINHIGSWKAATIREHKATVTLAAVMGAFIICWFPYFTVFVYRGLKGDDAVNEVFEDVVLWLGYANSALNPILYAALNRDFRTAYHQLFCCRLASHNSHETSLRLNNSQLNRSQCQEPRWQEDKPLNLQVWSGTEVTAPQGATNR
UniProt	P47747
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2882
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	BU-E-76
Molecular formula	C21H24F2N6
IUPAC name	1-[3-(3,5-difluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
Molecular weight	398.462
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	2.5
Synonyms	114667-79-7 ACMC-20mkpo Guanidine, N-(3-(3,5-difluorophenyl)-3-(2-pyridinyl)propyl)-N'-(3-(1H-imidazol-4-yl)propyl)- BU-E 76 N(1)-(3-(3,5-Difluorophenyl)-3-pyridine-2-ylpropyl)-N(2)-(3-(1H-imidazol-4-yl)propyl)guanidine CHEMBL59832 AKOS030602612 Guanidine,N-[3-(3,5-difluorophenyl)-3-(2-pyridinyl)propyl]-N'-[3-(1H-imidazol-5-yl)propyl]- 1-[3-(3,5-difluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine SCHEMBL7284806 AC1MIW8R CTK4A8842 BDBM50403482 L004002 [ Show all ]
Inchi Key	AWNVXDSGXRUHRY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H24F2N6/c22-16-10-15(11-17(23)12-16)19(20-5-1-2-7-26-20)6-9-28-21(24)27-8-3-4-18-13-25-14-29-18/h1-2,5,7,10-14,19H,3-4,6,8-9H2,(H,25,29)(H3,24,27,28)
PubChem CID	3081064
ChEMBL	CHEMBL59832
IUPHAR	N/A
BindingDB	50403482
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Intrinsic activity	0.8 -	PMID2569042	ChEMBL
Intrinsic activity	1.0 -	Bioorg. Med. Chem. Lett., (1995) 5:18:2065, PMID2569042	ChEMBL
pD2	7.91 -	PMID2569042	ChEMBL
pD2	8.05 -	Bioorg. Med. Chem. Lett., (1995) 5:18:2065, PMID2569042	ChEMBL
Relative potency	112.2 -	PMID2569042	ChEMBL

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