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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	MLS001157638
Molecular formula	C27H28N4O3
IUPAC name	N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-(furan-2-yl)quinoline-4-carboxamide
Molecular weight	456.546
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.8
Synonyms	MCULE-2800108959 ZINC12919415 BDBM76141 N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-(2-furyl)cinchoninamide cid_24819417 NCGC00300854-01 AB00868641-06 N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-(furan-2-yl)quinoline-4-carboxamide HMS2974H21 SMR000688507 AKOS007970086 MolPort-005-731-633 CHEMBL1313501 N-[4-[[2-(diethylamino)ethylamino]-oxomethyl]phenyl]-2-(2-furanyl)-4-quinolinecarboxamide [ Show all ]
Inchi Key	CCWOXRNCXQXGKI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H28N4O3/c1-3-31(4-2)16-15-28-26(32)19-11-13-20(14-12-19)29-27(33)22-18-24(25-10-7-17-34-25)30-23-9-6-5-8-21(22)23/h5-14,17-18H,3-4,15-16H2,1-2H3,(H,28,32)(H,29,33)
PubChem CID	24819417
ChEMBL	CHEMBL1313501
IUPHAR	N/A
BindingDB	76141
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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