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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	MLS001033014
Molecular formula	C14H17Cl2NO
IUPAC name	1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
Molecular weight	286.196
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.2
Synonyms	1-(3,4-dichlorophenyl)-2-(3-methyl-1-piperidinyl)ethanone BDBM67286 SMR000363518 1-(3,4-dichlorophenyl)-2-(3-methylpiperidino)ethanone cid_5218417 AC1NQBBS 1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethan-1-one Z56042971 HMS2698G07 AKOS008964128 MolPort-004-024-228 1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanone CHEMBL1344824 734538-66-0 MCULE-1258067231 [ Show all ]
Inchi Key	APIRRWANGJCETR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H17Cl2NO/c1-10-3-2-6-17(8-10)9-14(18)11-4-5-12(15)13(16)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3
PubChem CID	5218417
ChEMBL	CHEMBL1344824
IUPHAR	N/A
BindingDB	67286
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	4790.0 nM	N/A	BindingDB

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