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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	MLS001174708
Molecular formula	C12H9Br2NOS
IUPAC name	2-(4-bromoanilino)-1-(5-bromothiophen-2-yl)ethanone
Molecular weight	375.078
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	5.0
Synonyms	2-(4-bromoanilino)-1-(5-bromo-2-thienyl)ethanone BDBM67346 SMR000596301 2-[(4-bromophenyl)amino]-1-(5-bromothiophen-2-yl)ethan-1-one cid_3648468 AC1MUXFC 2-(4-bromoanilino)-1-(5-bromo-2-thiophenyl)ethanone Z56881135 HMS2905N11 1-(5-bromanylthiophen-2-yl)-2-[(4-bromophenyl)amino]ethanone AKOS034463585 MolPort-004-013-399 2-(4-bromoanilino)-1-(5-bromothiophen-2-yl)ethanone CHEMBL1582697 ZINC5656689 726154-69-4 MCULE-1352947160 [ Show all ]
Inchi Key	BZTSWLAROITJSP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H9Br2NOS/c13-8-1-3-9(4-2-8)15-7-10(16)11-5-6-12(14)17-11/h1-6,15H,7H2
PubChem CID	3648468
ChEMBL	CHEMBL1582697
IUPHAR	N/A
BindingDB	67346
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	16800.0 nM	N/A	BindingDB

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