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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	2-(3-chloro-4-methylanilino)-1-phenylethanone
Molecular formula	C15H14ClNO
IUPAC name	2-(3-chloro-4-methylanilino)-1-phenylethanone
Molecular weight	259.733
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.3
Synonyms	2-(3-chloro-4-methyl-anilino)-1-phenyl-ethanone AKOS000749298 MCULE-1779792534 2-[(3-chloranyl-4-methyl-phenyl)amino]-1-phenyl-ethanone Cambridge id 7027509 Oprea1_303708 AC1LG3TZ cid_788410 STK269254 2-(3-Chloro-4-methyl-phenylamino)-1-phenyl-ethanone BAS 02079199 MLS000555629 2-[(3-chloro-4-methylphenyl)amino]-1-phenylethanone Oprea1_449906 AG-690/15437803 HMS2392O16 ZINC287443 BDBM67195 MolPort-001-498-587 CHEMBL1312651 SMR000177335 [ Show all ]
Inchi Key	BYLKIFQQXNFTAK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H14ClNO/c1-11-7-8-13(9-14(11)16)17-10-15(18)12-5-3-2-4-6-12/h2-9,17H,10H2,1H3
PubChem CID	788410
ChEMBL	CHEMBL1312651
IUPHAR	N/A
BindingDB	67195
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	2010.0 nM	N/A	BindingDB

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