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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	MLS001196044
Molecular formula	C20H19NO3
IUPAC name	2-[(E)-2-(3-ethoxy-2-methoxyphenyl)ethenyl]quinolin-8-ol
Molecular weight	321.376
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.4
Synonyms	2-[(E)-2-(3-ethoxy-2-methoxyphenyl)ethenyl]-8-quinolinol Cambridge id 7018409 STK521543 cid_5735740 2-[(E)-2-(3-ethoxy-2-methoxy-phenyl)ethenyl]quinolin-8-ol AKOS000355934 NCGC00275386-01 2-[(E)-2-(3-ethoxy-2-methoxyphenyl)ethenyl]quinolin-8-ol ZINC3905826 AB00301843-07 2-[(E)-2-(3-ethoxy-2-methoxy-phenyl)vinyl]quinolin-8-ol BDBM67340 SMR000558634 2-[(E)-2-(3-ethoxy-2-methoxyphenyl)vinyl]quinolin-8-ol CHEMBL1491932 AC1NWTTB MolPort-002-234-289 [ Show all ]
Inchi Key	BEWHEVYVOMMARC-ACCUITESSA-N
Inchi ID	InChI=1S/C20H19NO3/c1-3-24-18-9-5-7-15(20(18)23-2)11-13-16-12-10-14-6-4-8-17(22)19(14)21-16/h4-13,22H,3H2,1-2H3/b13-11+
PubChem CID	5735740
ChEMBL	CHEMBL1491932
IUPHAR	N/A
BindingDB	67340
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	33000.0 nM	N/A	BindingDB

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