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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	MLS000057767
Molecular formula	C15H10ClN3O2
IUPAC name	4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
Molecular weight	299.714
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.2
Synonyms	cid_805087 Oprea1_068177 4-chloranyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide HMS3322J07 ZINC314277 AC1LFLUY F1374-0845 Oprea1_851308 4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide AKOS001020587 MCULE-7317331559 CHEMBL1557648 MolPort-001-889-860 HMS2166H13 SMR000061562 BDBM60214 MLS-0040589.0001 [ Show all ]
Inchi Key	YZLBFDGNVDNPIB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H10ClN3O2/c16-12-8-6-10(7-9-12)13(20)17-15-19-18-14(21-15)11-4-2-1-3-5-11/h1-9H,(H,17,19,20)
PubChem CID	805087
ChEMBL	CHEMBL1557648
IUPHAR	N/A
BindingDB	60214
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	13900.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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