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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	MLS000058898
Molecular formula	C13H22N2O2S
IUPAC name	3-butan-2-yl-5-ethyl-6-hydroxy-2-propylsulfanylpyrimidin-4-one
Molecular weight	270.391
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.3
Synonyms	1-butan-2-yl-5-ethyl-6-oxidanyl-2-propylsulfanyl-pyrimidin-4-one CHEBI:113003 cid_2842565 SMR000069467 1-butan-2-yl-5-ethyl-6-hydroxy-2-(propylthio)-4-pyrimidinone BDBM76107 MCULE-7914868370 3-sec-butyl-5-ethyl-6-hydroxy-2-(propylthio)-4(3H)-pyrimidinone MolPort-002-113-936 AB00081660-01 HMS1582N07 1-butan-2-yl-5-ethyl-6-hydroxy-2-propylsulfanylpyrimidin-4-one Cambridge id 5344703 MLS-0014564.0001 5-ethyl-6-hydroxy-2-(propylthio)-1-sec-butyl-pyrimidin-4-one CHEMBL1329339 Oprea1_738097 AC1MDT7W HMS2444A13 [ Show all ]
Inchi Key	BKSVBBOOWFNSIG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H22N2O2S/c1-5-8-18-13-14-11(16)10(7-3)12(17)15(13)9(4)6-2/h9,16H,5-8H2,1-4H3
PubChem CID	135458801
ChEMBL	CHEMBL1329339
IUPHAR	N/A
BindingDB	76107
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	56900.0 nM	N/A	BindingDB

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