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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	SMR000195626
Molecular formula	C19H15ClN2O3S
IUPAC name	5-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]furan-2-carboxamide
Molecular weight	386.85
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	5.2
Synonyms	BRD-K95288208-001-09-3 MolPort-002-211-200 5-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]furan-2-carboxamide cid_2905078 STK172790 AKOS003255778 MLS000574038 5-(4-chlorophenyl)-N-[(2-hydroxy-5-methyl-phenyl)thiocarbamoyl]-2-furamide 5-(4-chlorophenyl)-N-[(5-methyl-2-oxidanyl-phenyl)carbamothioyl]furan-2-carboxamide Oprea1_857696 AB00111903-01 MCULE-8044483442 ZINC4703834 BDBM79987 MLS003905466 5-(4-chlorophenyl)-N-[(2-hydroxy-5-methylanilino)-sulfanylidenemethyl]-2-furancarboxamide 5-(4-chlorophenyl)-N-{[(2-hydroxy-5-methylphenyl)amino]carbonothioyl}-2-furamide CHEMBL1366012 AC1MEL3P MLS-0317639.0001 [ Show all ]
Inchi Key	NCJZANHDHLKJNX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H15ClN2O3S/c1-11-2-7-15(23)14(10-11)21-19(26)22-18(24)17-9-8-16(25-17)12-3-5-13(20)6-4-12/h2-10,23H,1H3,(H2,21,22,24,26)
PubChem CID	2905078
ChEMBL	CHEMBL1366012
IUPHAR	N/A
BindingDB	79987
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	7680.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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