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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	CHEMBL3819064
Molecular formula	C23H23FN4O6
IUPAC name	(2S)-5-amino-2-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-5-oxopentanoic acid
Molecular weight	470.457
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	2.0
Synonyms	BDBM50183350 SCHEMBL17326231
Inchi Key	CIOTYVNIEFAUMC-HNNXBMFYSA-N
Inchi ID	InChI=1S/C23H23FN4O6/c1-33-18-4-3-5-19(34-2)21(18)17-12-16(27-28(17)14-8-6-13(24)7-9-14)22(30)26-15(23(31)32)10-11-20(25)29/h3-9,12,15H,10-11H2,1-2H3,(H2,25,29)(H,26,30)(H,31,32)/t15-/m0/s1
PubChem CID	118568545
ChEMBL	CHEMBL3819064
IUPHAR	N/A
BindingDB	50183350
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	<30000.0 nM	PMID27369451	BindingDB,ChEMBL

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