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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	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	CHEMBL39603
Molecular formula	C21H25NO2
IUPAC name	1-[4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]phenyl]ethanone
Molecular weight	323.436
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.8
Synonyms	BDBM50126884 SCHEMBL12128667 alpha-(4-Acetylphenoxy)-alpha'-piperidino p-xylol CHEMBL1178750 1-[4-(4-Piperidin-1-ylmethyl-benzyloxy)-phenyl]-ethanone; compound with oxalic acid ARBBIPRORVNXCC-UHFFFAOYSA-N [ Show all ]
Inchi Key	ARBBIPRORVNXCC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H25NO2/c1-17(23)20-9-11-21(12-10-20)24-16-19-7-5-18(6-8-19)15-22-13-3-2-4-14-22/h5-12H,2-4,13-16H2,1H3
PubChem CID	10936212
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50126884
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	4570.88 nM	PMID12672253	BindingDB

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