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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	BAS 09669177
Molecular formula	C20H16N2O3S
IUPAC name	N-(5-methoxyquinolin-8-yl)naphthalene-2-sulfonamide
Molecular weight	364.419
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.9
Synonyms	AC1LM3AP N-(5-methoxy-8-quinolinyl)-2-naphthalenesulfonamide BDBM58588 Naphthalene-2-sulfonic acid (5-methoxy-quinolin-8-yl)-amide cid_1096078 SR-01000322479-1 AKOS000541371 N-(5-methoxy-8-quinolyl)naphthalene-2-sulfonamide SMR000612899 MLS001221398 ZINC818590 N-(5-methoxyquinolin-8-yl)naphthalene-2-sulfonamide CHEMBL1566084 SR-01000322479 [ Show all ]
Inchi Key	DDQDAAIGJSRNPU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H16N2O3S/c1-25-19-11-10-18(20-17(19)7-4-12-21-20)22-26(23,24)16-9-8-14-5-2-3-6-15(14)13-16/h2-13,22H,1H3
PubChem CID	1096078
ChEMBL	CHEMBL1566084
IUPHAR	N/A
BindingDB	58588
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	<40000.0 nM	N/A	BindingDB

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