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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	MLS001035334
Molecular formula	C19H18N2O7
IUPAC name	[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate
Molecular weight	386.36
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	1.9
Synonyms	HMS2998F18 SR-01000494467-1 AKOS022001298 MolPort-001-516-583 [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester CHEMBL1592181 SMR000664541 AC1MFR3V MCULE-8696877083 STK252950 BDBM67372 Oprea1_150753 2-(4-methyl-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate cid_2899190 SR-01000494467 AKOS001672662 [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]ethanoate 2-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Oprea1_422677 [ Show all ]
Inchi Key	CXQJULGCQBTONZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H18N2O7/c1-11-6-7-12(8-15(11)21(26)27)16(22)10-28-17(23)9-20-18(24)13-4-2-3-5-14(13)19(20)25/h2-3,6-8,13-14H,4-5,9-10H2,1H3
PubChem CID	2899190
ChEMBL	CHEMBL1592181
IUPHAR	N/A
BindingDB	67372
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	<40000.0 nM	N/A	BindingDB

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