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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.
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	CHEMBL430798
Molecular formula	C19H18F3N3O4S
IUPAC name	[6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl] trifluoromethanesulfonate
Molecular weight	441.425
Hydrogen bond acceptor	9
Hydrogen bond donor	0
XlogP	3.2
Synonyms	GMC-283 BDBM50078062 ZINC14299682 D0A3OF 183140-98-9 MolPort-042-665-651 GMC-2-83 Trifluoro-methanesulfonic acid 11-(4-methyl-piperazin-1-yl)-dibenzo[b,f][1,4]oxazepin-2-yl ester [ Show all ]
Inchi Key	DQNCRNVCBHYBQP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H18F3N3O4S/c1-24-8-10-25(11-9-24)18-14-12-13(29-30(26,27)19(20,21)22)6-7-16(14)28-17-5-3-2-4-15(17)23-18/h2-7,12H,8-11H2,1H3
PubChem CID	10026300
ChEMBL	CHEMBL430798
IUPHAR	N/A
BindingDB	50078062
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	120.0 nM	PMID10377229	BindingDB,ChEMBL

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