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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	MLS000681503
Molecular formula	C15H12N2O5
IUPAC name	[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] pyridine-4-carboxylate
Molecular weight	300.27
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.3
Synonyms	292612-45-4 cid_761850 Oprea1_705501 AC1LFXPD isonicotinic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester SR-01000439128-1 2-(4-methyl-3-nitrophenyl)-2-oxoethyl isonicotinate MolPort-001-530-761 [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] pyridine-4-carboxylate 4-pyridinecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester EU-0038881 SMR000269167 AKOS001049171 MCULE-4224769624 Z19683573 2-(4-methyl-3-nitrophenyl)-2-oxoethyl pyridine-4-carboxylate CHEMBL1466556 Oprea1_116226 [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] pyridine-4-carboxylate HMS2583H05 SR-01000439128 BDBM67251 ZINC233164 [ Show all ]
Inchi Key	CLAPWGYQMWTPNJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H12N2O5/c1-10-2-3-12(8-13(10)17(20)21)14(18)9-22-15(19)11-4-6-16-7-5-11/h2-8H,9H2,1H3
PubChem CID	761850
ChEMBL	CHEMBL1466556
IUPHAR	N/A
BindingDB	67251
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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