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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	MLS000768883
Molecular formula	C16H13BrN2O7
IUPAC name	[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
Molecular weight	425.191
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.1
Synonyms	STK727859 2-[[(5-bromo-2-furanyl)-oxomethyl]amino]acetic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester HMS2782P19 [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoate AKOS003647713 MolPort-000-806-503 2-(4-methyl-3-nitrophenyl)-2-oxoethyl N-[(5-bromofuran-2-yl)carbonyl]glycinate CHEMBL1550499 ZINC2078501 2-{3-nitro-4-methylphenyl}-2-oxoethyl [(5-bromo-2-furoyl)amino]acetate AC1LWTZ8 MCULE-3894392241 [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate BDBM67294 SMR000432180 2-[(5-bromo-2-furoyl)amino]acetic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester cid_1738511 [(5-Bromo-furan-2-carbonyl)-amino]-acetic acid 2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl ester 352671-44-4 AK-918/12272005 [ Show all ]
Inchi Key	CXUDFPOCGAJDDG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H13BrN2O7/c1-9-2-3-10(6-11(9)19(23)24)12(20)8-25-15(21)7-18-16(22)13-4-5-14(17)26-13/h2-6H,7-8H2,1H3,(H,18,22)
PubChem CID	1738511
ChEMBL	CHEMBL1550499
IUPHAR	N/A
BindingDB	67294
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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