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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	SMR000103373
Molecular formula	C16H17NO
IUPAC name	2-(dimethylamino)-1-(4-phenylphenyl)ethanone
Molecular weight	239.318
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.8
Synonyms	2-(dimethylamino)-1-(4-phenylphenyl)ethanone CHEMBL1378818 ZINC247383 AC1LGBIS HMS2454L10 Cambridge id 5401524 REGID_for_CID_768313 cid_768313 AKOS017268566 MCULE-4228666060 AB00084018-01 HMS1582H05 BDBM55339 MLS000106406 [ Show all ]
Inchi Key	BNFLSPBWCHLHEZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H17NO/c1-17(2)12-16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
PubChem CID	768313
ChEMBL	CHEMBL1378818
IUPHAR	N/A
BindingDB	55339
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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