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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	MLS001098424
Molecular formula	C12H12ClFN4O2S
IUPAC name	3-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-4-fluorobenzenesulfonohydrazide
Molecular weight	330.762
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.9
Synonyms	3-chloro-N''-(4,6-dimethyl-2-pyrimidinyl)-4-fluorobenzenesulfonohydrazide ZINC7385641 3-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-4-fluorobenzenesulfonohydrazide MCULE-1779128577 AKOS001461578 MolPort-004-672-205 3-chloro-N''-(4,6-dimethylpyrimidin-2-yl)-4-fluoro-benzenesulfonohydrazide CHEMBL1512236 MLS-0404193.0001 3-chloranyl-N''-(4,6-dimethylpyrimidin-2-yl)-4-fluoranyl-benzenesulfonohydrazide BDBM67379 SMR000707719 3-chloro-N''-(4,6-dimethylpyrimidin-2-yl)-4-fluorobenzenesulfonohydrazide cid_8480343 AC1P75XO [ Show all ]
Inchi Key	BDHUQYMAAITDDM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H12ClFN4O2S/c1-7-5-8(2)16-12(15-7)17-18-21(19,20)9-3-4-11(14)10(13)6-9/h3-6,18H,1-2H3,(H,15,16,17)
PubChem CID	8480343
ChEMBL	CHEMBL1512236
IUPHAR	N/A
BindingDB	67379
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	5640.0 nM	N/A	BindingDB

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