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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.
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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	CHEMBL1557707
Molecular formula	C17H11N3O6S
IUPAC name	[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-nitrobenzoate
Molecular weight	385.35
Hydrogen bond acceptor	9
Hydrogen bond donor	0
XlogP	2.2
Synonyms	877636-39-0 HMS2767G23 ZINC4377277 AKOS024654792 MLS000685795 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 3-nitrobenzoate SR-01000020400 AB00585731-02 MCULE-5863694213 [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-nitrobenzoate BDBM50393923 MolPort-003-127-643 F2510-0121 SR-01000020400-1 AC1OHVT8 MLS-0239733.0001 SMR000324310 [ Show all ]
Inchi Key	CCOYLGNMVJOAKJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H11N3O6S/c21-14-8-13(10-27-17-18-5-2-6-19-17)25-9-15(14)26-16(22)11-3-1-4-12(7-11)20(23)24/h1-9H,10H2
PubChem CID	7217938
ChEMBL	CHEMBL1557707
IUPHAR	N/A
BindingDB	50393923
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	75700.0 nM	PMID23010269	BindingDB,ChEMBL

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