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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	2-(3-propoxyphenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide
Molecular formula	C25H22N4O2
IUPAC name	2-(3-propoxyphenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide
Molecular weight	410.477
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.9
Synonyms	cid_1747332 2-(3-propoxyphenyl)-N-(2-pyridylmethyleneamino)cinchoninamide MLS001147747 AC1LX8GS HMS2995E11 SMR000672793 BDBM60285 2-(3-propoxyphenyl)-N-(2-pyridinylmethylideneamino)-4-quinolinecarboxamide MCULE-1139315515 ZINC252595350 [ Show all ]
Inchi Key	BZWSQPYXZMPJQF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H22N4O2/c1-2-14-31-20-10-7-8-18(15-20)24-16-22(21-11-3-4-12-23(21)28-24)25(30)29-27-17-19-9-5-6-13-26-19/h3-13,15-17H,2,14H2,1H3,(H,29,30)
PubChem CID	1747332
ChEMBL	N/A
IUPHAR	N/A
BindingDB	60285
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	8550.0 nM	N/A	BindingDB

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