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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	4-methylphenyl 5-nitro-2-pyridinyl sulfone
Molecular formula	C12H10N2O4S
IUPAC name	2-(4-methylphenyl)sulfonyl-5-nitropyridine
Molecular weight	278.282
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.2
Synonyms	2-(4-methylbenzenesulfonyl)-5-nitropyridine 91974-22-0 KS-00001UU2 SMR000550074 2R-0608 BDBM54428 MCULE-3870617590 5-Nitro-2-tosylpyridine cid_1472329 MolPort-002-863-276 2-(4-methylphenyl)sulfonyl-5-nitro-pyridine AC1LSVZK ksc-8-109 ZINC1383717 MLS-0319535.0001 HMS2885A11 Oprea1_797223 2-(4-methylphenyl)sulfonyl-5-nitropyridine AKOS005086308 KUC104578N 5-nitro-2-tosyl-pyridine CHEMBL1431608 MLS001165624 [ Show all ]
Inchi Key	POLPNUJAOPJLTN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H10N2O4S/c1-9-2-5-11(6-3-9)19(17,18)12-7-4-10(8-13-12)14(15)16/h2-8H,1H3
PubChem CID	1472329
ChEMBL	CHEMBL1431608
IUPHAR	N/A
BindingDB	54428
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	23400.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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