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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	5-nitro-2-{[3-(trifluoromethyl)phenyl]sulfonyl}pyridine
Molecular formula	C12H7F3N2O4S
IUPAC name	5-nitro-2-[3-(trifluoromethyl)phenyl]sulfonylpyridine
Molecular weight	332.253
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	2.7
Synonyms	KSC-8-98 BDBM66015 MLS-0394526.0001 5-nitro-2-[3-(trifluoromethyl)phenyl]sulfonylpyridine cid_901998 SMR000476527 AC1LICTR KUC104568N MLS001178404 ZINC481376 HMS2812P13 AJ-333/25006146 MCULE-3282409601 5-nitro-2-[3-(trifluoromethyl)phenyl]sulfonyl-pyridine CHEMBL1437683 MolPort-002-817-725 [ Show all ]
Inchi Key	HIIFGFBAURJFDP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H7F3N2O4S/c13-12(14,15)8-2-1-3-10(6-8)22(20,21)11-5-4-9(7-16-11)17(18)19/h1-7H
PubChem CID	901998
ChEMBL	CHEMBL1437683
IUPHAR	N/A
BindingDB	66015
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	18800.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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