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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	CHEMBL2158005
Molecular formula	C17H10ClN3O6S
IUPAC name	[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chloro-5-nitrobenzoate
Molecular weight	419.792
Hydrogen bond acceptor	9
Hydrogen bond donor	0
XlogP	2.8
Synonyms	4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-chloro-5-nitrobenzoate MCULE-5690344762 AKOS024654806 SR-01000020415 MLS-0437367.0001 BDBM50393907 SR-01000020415-1 F2510-0136 877636-54-9 MolPort-003-127-658 ZINC9829253 [ Show all ]
Inchi Key	CVGXGMFNRHYEOK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H10ClN3O6S/c18-13-3-2-10(21(24)25)6-12(13)16(23)27-15-8-26-11(7-14(15)22)9-28-17-19-4-1-5-20-17/h1-8H,9H2
PubChem CID	18572337
ChEMBL	CHEMBL2158005
IUPHAR	N/A
BindingDB	50393907
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	51000.0 nM	PMID23010269	BindingDB,ChEMBL

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