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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	CHEMBL426786
Molecular formula	C26H32N2O3
IUPAC name	2-[2-[4-(1-butylindol-3-yl)piperidin-1-yl]ethoxy]benzoic acid
Molecular weight	420.553
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.7
Synonyms	SCHEMBL6781923 2-{2-[4-(1-Butyl-1H-indol-3-yl)-piperidin-1-yl]-ethoxy}-benzoic acid BDBM50156873 NKNYSGLYIJGMTP-UHFFFAOYSA-N 2-{2-[4-(1-butyl-1H-indol-3-yl)piperidin-1-yl]ethoxy}-benzoic acid
Inchi Key	NKNYSGLYIJGMTP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H32N2O3/c1-2-3-14-28-19-23(21-8-4-6-10-24(21)28)20-12-15-27(16-13-20)17-18-31-25-11-7-5-9-22(25)26(29)30/h4-11,19-20H,2-3,12-18H2,1H3,(H,29,30)
PubChem CID	9802248
ChEMBL	CHEMBL426786
IUPHAR	N/A
BindingDB	50156873
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	127.0 nM	PMID15566302	BindingDB,ChEMBL
IC50	235.0 nM	PMID15686934	BindingDB,ChEMBL

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