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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	MLS000039260
Molecular formula	C14H14N4O3
IUPAC name	4-(methoxymethyl)-2-[(6-methyl-1,3-benzoxazol-2-yl)amino]-1H-pyrimidin-6-one
Molecular weight	286.291
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	0.9
Synonyms	HMS2177P12 STL163811 6-(methoxymethyl)-2-[(6-methyl-1,3-benzoxazol-2-yl)amino]pyrimidin-4-ol NCGC00021073-01 BDBM43348 cid_659383 Oprea1_438899 MCULE-4669291953 AC1LD0RC NCGC00021073-02 DNDI1417132 SMR000040429 6-(methoxymethyl)-2-[(6-methyl-1,3-benzoxazol-2-yl)amino]-1H-pyrimidin-4-one AKOS005715777 CHEMBL1492017 Oprea1_213976 [ Show all ]
Inchi Key	AYNYOFBZPWQVCY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H14N4O3/c1-8-3-4-10-11(5-8)21-14(16-10)18-13-15-9(7-20-2)6-12(19)17-13/h3-6H,7H2,1-2H3,(H2,15,16,17,18,19)
PubChem CID	135449568
ChEMBL	CHEMBL1492017
IUPHAR	N/A
BindingDB	43348
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	19900.0 nM	N/A	BindingDB

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