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GLASS

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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	MLS000681499
Molecular formula	C20H15N3O8
IUPAC name	[2-(3-nitrophenyl)-2-oxoethyl] 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate
Molecular weight	425.353
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	1.4
Synonyms	2-[(2-phthalimidoacetyl)amino]acetic acid [2-keto-2-(3-nitrophenyl)ethyl] ester cid_2165745 ZINC2749770 AC1M2AJF SR-01000439110 2-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]acetic acid [2-(3-nitrophenyl)-2-oxoethyl] ester HMS2662O14 [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]ethanoate AKOS001619443 MolPort-001-029-328 2-(3-nitrophenyl)-2-oxoethyl N-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]glycinate CHEMBL1430172 SR-01000439110-1 MCULE-9579877478 [2-(3-nitrophenyl)-2-oxoethyl] 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate BDBM67265 SMR000269169 [ Show all ]
Inchi Key	AGJBCVULVQCCCS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H15N3O8/c24-16(12-4-3-5-13(8-12)23(29)30)11-31-18(26)9-21-17(25)10-22-19(27)14-6-1-2-7-15(14)20(22)28/h1-8H,9-11H2,(H,21,25)
PubChem CID	2165745
ChEMBL	CHEMBL1430172
IUPHAR	N/A
BindingDB	67265
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	30200.0 nM	N/A	BindingDB

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