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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	Cavia porcellus (Guinea pig)
Gene	HRH1
Synonym	H1R HH1R
Disease	N/A for non-human GPCRs
Length	488
Amino acid sequence	MSFLPGMTPVTLSNFSWALEDRMLEGNSTTTPTRQLMPLVVVLSSVSLVTVALNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMSILYLHRSAWILGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLRYRTKTRASATILGAWLLSFLWVIPILGWHHFMAPTSEPREKKCETDFYDVTWFKVMTAIINFYLPTLLMLWFYIRIYKAVRRHCQHRQLINSSLPSFSEMKLKLENAKVDTRRMGKESPWEDPKRCSKDASGVHTPMPSSQHLVDMPCAAVLSEDEGGEVGTRQMPMLAVGDGRCCEALNHMHSQLELSGQSRATHSISARPEEWTVVDGQSFPITDSDTSTEAAPMGGQPRSGSNSGLDYIKFTWRRLRSHSRQYTSGLHLNRERKAAKQLGCIMAAFILCWIPYFVFFMVIAFCKSCSNEPVHMFTIWLGYLNSTLNPLIYPLCNENFRKTFKRILRIPP
UniProt	P31389
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	CHEMBL3943
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL65822
Molecular formula	C20H21NO3
IUPAC name	(11E)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid
Molecular weight	323.392
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	1.5
Synonyms	6,11-Dihydro-11-[(E)-3-dimethylaminopropylidene]dibenz[b,e]oxepin-2-carboxylic acid 11-(3-Dimethylamino-propylidene)-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid; compound with but-2-enedioic acid BDBM50002095 SCHEMBL5056536 CHEMBL1179239
Inchi Key	AJJNWHOAPWYEEB-CAOOACKPSA-N
Inchi ID	InChI=1S/C20H21NO3/c1-21(2)11-5-8-17-16-7-4-3-6-15(16)13-24-19-10-9-14(20(22)23)12-18(17)19/h3-4,6-10,12H,5,11,13H2,1-2H3,(H,22,23)/b17-8+
PubChem CID	14127191
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50002095
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	4.2 nM	PMID1350797	BindingDB

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