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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	MLS000723451
Molecular formula	C13H10N4O3
IUPAC name	3-nitro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
Molecular weight	270.248
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.9
Synonyms	BDBM60251 MolPort-000-873-527 3-nitro-N'-[(E)-pyridin-2-ylmethylidene]benzohydrazide 3-nitro-N-(pyridin-2-ylmethylideneamino)benzamide CHEBI:105473 SMR000305046 AC1NSTV7 cid_775111 3-NITRO-BENZOIC ACID PYRIDIN-2-YLMETHYLENE-HYDRAZIDE 3-nitro-N-(2-pyridinylmethylideneamino)benzamide BIM-0020931.P001 MolPort-004-635-155 3-nitro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide ST50560660 AKOS001424105 3-nitro-N'-[(1E)-pyridin-2-ylmethylene]benzohydrazide 3-nitro-N-(2-pyridylmethyleneamino)benzamide CCG-8782 N-((1E)-2-(2-pyridyl)-1-azavinyl)(3-nitrophenyl)carboxamide CHEMBL2005961 STK413505 [ Show all ]
Inchi Key	BDIPDGBKQLKZNG-OQLLNIDSSA-N
Inchi ID	InChI=1S/C13H10N4O3/c18-13(10-4-3-6-12(8-10)17(19)20)16-15-9-11-5-1-2-7-14-11/h1-9H,(H,16,18)/b15-9+
PubChem CID	5339648
ChEMBL	CHEMBL2005961
IUPHAR	N/A
BindingDB	60251
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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