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GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Histamine H1 receptor
Species	Rattus norvegicus (Rat)
Gene	Hrh1
Synonym	H1 receptor H1R HH1R Hisr
Disease	N/A for non-human GPCRs
Length	486
Amino acid sequence	MSFANTSSTFEDKMCEGNRTAMASPQLLPLVVVLSSISLVTVGLNLLVLYAVHSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLIMTKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLRYRTKTRASATILGAWFFSFLWVIPILGWHHFMPPAPELREDKCETDFYNVTWFKIMTAIINFYLPTLLMLWFYVKIYKAVRRHCQHRQLTNGSLPSFSELKLRSDDTKEGAKKPGRESPWGVLKRPSRDPSVGLDQKSTSEDPKMTSPTVFSQEGERETRPCFRLDIMQKQSVAEGDVRGSKANDQALSQPKMDEQSLNTCRRISETSEDQTLVDQQSFSRTTDSDTSIEPGPGRVKSRSGSNSGLDYIKITWKRLRSHSRQYVSGLHLNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKSCCSEPMHMFTIWLGYINSTLNPLIYPLCNENFKKTFKKILHIRS
UniProt	P31390
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	CHEMBL4701
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL280063
Molecular formula	C21H23Cl2N3OS
IUPAC name	6-[2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]ethyl]-3-methyl-1,3-benzothiazol-2-one
Molecular weight	436.395
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.7
Synonyms	6-{2-[4-(2,4-Dichloro-benzyl)-piperazin-1-yl]-ethyl}-3-methyl-3H-benzothiazol-2-one 3-Methyl-6-[2-[4-(2,4-dichlorobenzyl)piperazino]ethyl]benzothiazoline-2-one BDBM50111629 SCHEMBL7756716
Inchi Key	IVPBWXCQFBOUNC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23Cl2N3OS/c1-24-19-5-2-15(12-20(19)28-21(24)27)6-7-25-8-10-26(11-9-25)14-16-3-4-17(22)13-18(16)23/h2-5,12-13H,6-11,14H2,1H3
PubChem CID	17867053
ChEMBL	CHEMBL280063
IUPHAR	N/A
BindingDB	50111629
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	10.0 nM	PMID11934576	BindingDB,ChEMBL

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