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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	BDBM72680
Molecular formula	C15H15ClN4O3
IUPAC name	5-[5-(4-chlorophenyl)-4,5-dihydro-3H-pyrazol-3-yl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Molecular weight	334.76
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	1.7
Synonyms	cid_6224486 5-[5-(4-chlorophenyl)-3-pyrazolidinylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione 5-[5-(4-chlorophenyl)pyrazolidin-3-ylidene]-1,3-dimethyl-barbituric acid
Inchi Key	DXIGRVIOBUZFPV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H15ClN4O3/c1-19-13(21)12(14(22)20(2)15(19)23)11-7-10(17-18-11)8-3-5-9(16)6-4-8/h3-6,10-12H,7H2,1-2H3
PubChem CID	91898031
ChEMBL	N/A
IUPHAR	N/A
BindingDB	72680
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	7220.0 nM	N/A	BindingDB

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