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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	MLS000772464
Molecular formula	C13H7F2N3OS
IUPAC name	N-(4,6-difluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
Molecular weight	291.276
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.0
Synonyms	HMS2708M08 N-(4,6-difluorobenzo[d]thiazol-2-yl)picolinamide BDBM60259 MLS-0261733.0001 SMR000377135 cid_2474590 N-(4,6-difluoro-1,3-benzothiazol-2-yl)picolinamide AC1M7U1L KSC-24-038 N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide F5773-2271 N-(4,6-difluoro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide AKOS032603388 KUC108601N SCHEMBL16919783 CHEMBL1505604 N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-pyridinecarboxamide [ Show all ]
Inchi Key	DGGAJGHSEZTQRX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H7F2N3OS/c14-7-5-8(15)11-10(6-7)20-13(17-11)18-12(19)9-3-1-2-4-16-9/h1-6H,(H,17,18,19)
PubChem CID	2474590
ChEMBL	CHEMBL1505604
IUPHAR	N/A
BindingDB	60259
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	5880.0 nM	N/A	BindingDB

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