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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.
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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	CHEMBL2158261
Molecular formula	C21H20N2O4S
IUPAC name	[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-tert-butylbenzoate
Molecular weight	396.461
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.0
Synonyms	AC1OHVNK MolPort-003-127-544 ZINC4377181 MCULE-8924353931 AKOS024654697 SR-01000020313 [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-tert-butylbenzoate 877635-40-0 MLS-0437351.0001 BDBM50393913 SR-01000020313-1 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-(tert-butyl)benzoate F2510-0019 [ Show all ]
Inchi Key	DGRXKDFFRATIOS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H20N2O4S/c1-21(2,3)15-7-5-14(6-8-15)19(25)27-18-12-26-16(11-17(18)24)13-28-20-22-9-4-10-23-20/h4-12H,13H2,1-3H3
PubChem CID	7217870
ChEMBL	CHEMBL2158261
IUPHAR	N/A
BindingDB	50393913
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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