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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	MLS000720075
Molecular formula	C13H9N5O5
IUPAC name	3,5-dinitro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
Molecular weight	315.245
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.8
Synonyms	3,5-dinitro-N-(2-pyridylmethyleneamino)benzamide SR-01000078729 AKOS001591383 CHEMBL3192235 3,5-dinitro-N'-[(1E)-pyridin-2-ylmethylene]benzohydrazide MolPort-007-549-991 3,5-dinitro-N-(pyridin-2-ylmethylideneamino)benzamide BDBM60249 SR-01000078729-1 cid_16193305 3,5-dinitro-N-(2-pyridinylmethylideneamino)benzamide SMR000304604 [ Show all ]
Inchi Key	AOXPIPLNHJRYIZ-OVCLIPMQSA-N
Inchi ID	InChI=1S/C13H9N5O5/c19-13(16-15-8-10-3-1-2-4-14-10)9-5-11(17(20)21)7-12(6-9)18(22)23/h1-8H,(H,16,19)/b15-8+
PubChem CID	46495021
ChEMBL	CHEMBL3192235
IUPHAR	N/A
BindingDB	60249
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	9720.0 nM	N/A	BindingDB

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