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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	MLS000438571
Molecular formula	C23H25NO4
IUPAC name	(3-butyl-7-methyl-6,8-dioxo-2-phenylisoquinolin-7-yl) propanoate
Molecular weight	379.456
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.2
Synonyms	SMR000452623 cid_16745561 (3-butyl-7-methyl-6,8-dioxo-2-phenylisoquinolin-7-yl) propanoate HMS3355E22 propanoic acid (3-butyl-7-methyl-6,8-dioxo-2-phenyl-7-isoquinolinyl) ester [3-butyl-7-methyl-6,8-bis(oxidanylidene)-2-phenyl-isoquinolin-7-yl] propanoate CMLD003542 CHEMBL1452195 propionic acid (3-butyl-6,8-diketo-7-methyl-2-phenyl-7-isoquinolyl) ester HMS2223A17 BDBM76126 NCGC00162841-01 [ Show all ]
Inchi Key	CFIHYMXDIHOLKK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H25NO4/c1-4-6-10-18-13-16-14-20(25)23(3,28-21(26)5-2)22(27)19(16)15-24(18)17-11-8-7-9-12-17/h7-9,11-15H,4-6,10H2,1-3H3
PubChem CID	16745561
ChEMBL	CHEMBL1452195
IUPHAR	N/A
BindingDB	76126
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<100000.0 nM	N/A	BindingDB

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