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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	NSC168466
Molecular formula	C17H15N3O
IUPAC name	2-[(E)-C-methyl-N-(quinolin-2-ylamino)carbonimidoyl]phenol
Molecular weight	277.327
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.0
Synonyms	(6Z)-6-[1-(2-quinolin-2-ylhydrazinyl)ethylidene]cyclohexa-2,4-dien-1-one AKOS000987288 NSC-168466 59034-56-9 CHEMBL1892026 SR-01000065365 AC1NY9IM MLS002702053 2-(1-(quinolin-2(1H)-ylidenehydrazono)ethyl)phenol CCG-38249 6-[1-(2-quinolin-2-ylhydrazinyl)ethylidene]cyclohexa-2,4-dien-1-one DTXSID20420923 SR-01000065365-1 AC1OBETT NCI168466 2-[(E)-C-methyl-N-(2-quinolylamino)carbonimidoyl]phenol SCHEMBL14075818 AC1NTLDI MLS-0463044.0001 ZINC84459882 [ Show all ]
Inchi Key	IZHPDVLGPQNUBP-XDHOZWIPSA-N
Inchi ID	InChI=1S/C17H15N3O/c1-12(14-7-3-5-9-16(14)21)19-20-17-11-10-13-6-2-4-8-15(13)18-17/h2-11,21H,1H3,(H,18,20)/b19-12+
PubChem CID	135443554
ChEMBL	CHEMBL1892026
IUPHAR	N/A
BindingDB	N/A
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	4120.0 nM	PubChem BioAssay data set	ChEMBL

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