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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	MLS000830852
Molecular formula	C16H17ClN2O
IUPAC name	N'-(3-chloro-4-methylphenyl)-4-ethylbenzohydrazide
Molecular weight	288.775
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	4.9
Synonyms	AC1MDHJQ MolPort-002-900-734 CHEMBL1427235 N''-(3-chloro-4-methylphenyl)-4-ethylbenzohydrazide MCULE-1107508930 ZINC147452 BDBM67302 N''-(3-chloranyl-4-methyl-phenyl)-4-ethyl-benzohydrazide cid_2811327 N'-(3-chloro-4-methylphenyl)-4-ethylbenzohydrazide N''-(3-chloro-4-methyl-phenyl)-4-ethyl-benzohydrazide HMS2812D03 SMR000458273 [ Show all ]
Inchi Key	CJFIQZXAVGQPLU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H17ClN2O/c1-3-12-5-7-13(8-6-12)16(20)19-18-14-9-4-11(2)15(17)10-14/h4-10,18H,3H2,1-2H3,(H,19,20)
PubChem CID	2811327
ChEMBL	CHEMBL1427235
IUPHAR	N/A
BindingDB	67302
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	24100.0 nM	N/A	BindingDB

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