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GLASS

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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	4-chloro-1-ethyl-3-nitroquinolin-2(1H)-one
Molecular formula	C11H9ClN2O3
IUPAC name	4-chloro-1-ethyl-3-nitroquinolin-2-one
Molecular weight	252.654
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	2.3
Synonyms	4-chloranyl-1-ethyl-3-nitro-quinolin-2-one 433310-26-0 BRD-K08463963-001-10-1 MLS000718723 SR-01000246066-3 4-chloro-1-ethyl-3-nitro-2-quinolinone AC1LFAW6 Oprea1_018714 Z57455247 BDBM67266 HMS2703O21 SR-01000246066 4-chloro-1-ethyl-3-nitro-1,2-dihydroquinolin-2-one Cambridge id 6904460 MLS003370524 ST4100788 4-chloro-1-ethyl-3-nitro-carbostyril AKOS000561603 CHEMBL1342053 Oprea1_142442 ZINC306418 4-chloro-1-ethyl-3-nitroquinolin-2-one BRD-K08463963-001-08-5 MCULE-5629981413 SR-01000246066-1 4-Chloro-1-ethyl-3-nitro-1H-quinolin-2-one A3391/0143850 CHEBI:92146 MolPort-000-434-905 STK104488 4-chloro-1-ethyl-3-nitrohydroquinolin-2-one BAS 08139291 cid_800048 SMR000290991 [ Show all ]
Inchi Key	FIUNXRLMZHVJPJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H9ClN2O3/c1-2-13-8-6-4-3-5-7(8)9(12)10(11(13)15)14(16)17/h3-6H,2H2,1H3
PubChem CID	800048
ChEMBL	CHEMBL1342053
IUPHAR	N/A
BindingDB	67266
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	2060.0 nM	N/A	BindingDB

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