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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	MLS000705563
Molecular formula	C13H11N3OS
IUPAC name	6-ethyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
Molecular weight	257.311
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.5
Synonyms	6-ethyl-2-(2-pyridyl)-3H-thieno[2,3-d]pyrimidin-4-one BDBM67244 MolPort-002-849-341 CHEMBL1567827 ZINC8684349 6-ethyl-2-(2-pyridinyl)-3H-thieno[2,3-d]pyrimidin-4-one AKOS008024049 MCULE-3228650780 6-ethyl-2-(pyridin-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one BRD-K69085837-001-11-0 SMR000232055 724745-45-3 cid_852940 6-ethyl-2-(2-pyridinyl)thieno[2,3-d]pyrimidin-4(3H)-one AR-434/42807715 6-ethyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Z55164162 AC1LGWBX HMS2521D08 [ Show all ]
Inchi Key	CREYUURVAPLCCE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H11N3OS/c1-2-8-7-9-12(17)15-11(16-13(9)18-8)10-5-3-4-6-14-10/h3-7H,2H2,1H3,(H,15,16,17)
PubChem CID	852940
ChEMBL	CHEMBL1567827
IUPHAR	N/A
BindingDB	67244
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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