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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	3,4,5-trimethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
Molecular formula	C22H21N3O4
IUPAC name	3,4,5-trimethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
Molecular weight	391.427
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.9
Synonyms	BDBM67242 3,4,5-trimethoxy-N-[[phenyl(2-pyridinyl)methylidene]amino]benzamide cid_2351773 3,4,5-trimethoxy-N-[[phenyl(2-pyridyl)methylene]amino]benzamide AC1M5DQR HMS2599P11 [ Show all ]
Inchi Key	BMBLOFIHDPHYHB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H21N3O4/c1-27-18-13-16(14-19(28-2)21(18)29-3)22(26)25-24-20(15-9-5-4-6-10-15)17-11-7-8-12-23-17/h4-14H,1-3H3,(H,25,26)
PubChem CID	2351773
ChEMBL	N/A
IUPHAR	N/A
BindingDB	67242
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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