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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	MLS001173828
Molecular formula	C15H14ClNO2
IUPAC name	1-(4-chlorophenyl)-2-(2-methoxyanilino)ethanone
Molecular weight	275.732
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.8
Synonyms	1-(4-chlorophenyl)-2-(2-methoxyanilino)ethanone AKOS001022423 MCULE-2801476714 Z56816115 1-(4-chlorophenyl)-2-[(2-methoxyphenyl)amino]ethanone CHEMBL1467838 AC1M5UJR HMS1400K02 SMR000588910 1-(4-chlorophenyl)-2-(o-anisidino)ethanone BDBM67344 MLS-0328158.0001 ZINC3243522 356568-61-1 cid_2360979 MolPort-001-823-603 AC1Q4ELL HMS2862J12 STK011466 1-(4-chlorophenyl)-2-[(2-methoxyphenyl)amino]ethan-1-one MLS-0328158.0002 Enamine_002334 Oprea1_841122 [ Show all ]
Inchi Key	BJJPWLDJIRIWMD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H14ClNO2/c1-19-15-5-3-2-4-13(15)17-10-14(18)11-6-8-12(16)9-7-11/h2-9,17H,10H2,1H3
PubChem CID	2360979
ChEMBL	CHEMBL1467838
IUPHAR	N/A
BindingDB	67344
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	2048.0 nM	N/A	BindingDB

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