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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	Apelin receptor
Species	Homo sapiens (Human)
Gene	APLNR
Synonym	msr/apj GPCR34 G-protein coupled receptor HG11 G-protein coupled receptor APJ AGTRL1 angiotensin II receptor-like 1 angiotensin receptor-like 1 APJR APJ apelin receptor B78 [ Show all ]
Disease	N/A
Length	380
Amino acid sequence	MEEGGDFDNYYGADNQSECEYTDWKSSGALIPAIYMLVFLLGTTGNGLVLWTVFRSSREKRRSADIFIASLAVADLTFVVTLPLWATYTYRDYDWPFGTFFCKLSSYLIFVNMYASVFCLTGLSFDRYLAIVRPVANARLRLRVSGAVATAVLWVLAALLAMPVMVLRTTGDLENTTKVQCYMDYSMVATVSSEWAWEVGLGVSSTTVGFVVPFTIMLTCYFFIAQTIAGHFRKERIEGLRKRRRLLSIIVVLVVTFALCWMPYHLVKTLYMLGSLLHWPCDFDLFLMNIFPYCTCISYVNSCLNPFLYAFFDPRFRQACTSMLCCGQSRCAGTSHSSSGEKSASYSSGHSQGPGPNMGKGGEQMHEKSIPYSQETLVVD
UniProt	P35414
Protein Data Bank	5vbl
GPCR-HGmod model	P35414
3D structure model	This structure is from PDB ID 5vbl.
BioLiP	BL0380094, BL0380093
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1628481
IUPHAR	36
DrugBank	N/A

Ligand

Name	CHEMBL2158355
Molecular formula	C21H20N2O5S
IUPAC name	[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-butoxybenzoate
Molecular weight	412.46
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	3.6
Synonyms	877635-62-6 MLS-0437355.0001 BDBM50393914 SR-01000020333-1 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-butoxybenzoate F2510-0040 AC1OHVPB MolPort-003-127-565 ZINC4377207 MCULE-2819126309 AKOS024654717 SR-01000020333 [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-butoxybenzoate [ Show all ]
Inchi Key	BUGHHCRBEJONTG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H20N2O5S/c1-2-3-11-26-16-7-5-15(6-8-16)20(25)28-19-13-27-17(12-18(19)24)14-29-21-22-9-4-10-23-21/h4-10,12-13H,2-3,11,14H2,1H3
PubChem CID	7217891
ChEMBL	CHEMBL2158355
IUPHAR	N/A
BindingDB	50393914
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	<79000.0 nM	PMID23010269	BindingDB,ChEMBL

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