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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	MLS001116397
Molecular formula	C20H19ClN4O5S2
IUPAC name	5-chloro-2-ethylsulfonyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide
Molecular weight	494.965
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.6
Synonyms	D053-0371 STK883726 5-chloro-2-ethylsulfonyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-pyrimidinecarboxamide AKOS001872932 NCGC00115074-01 5-chloro-2-(ethylsulfonyl)-N-{4-[methyl(phenyl)sulfamoyl]phenyl}pyrimidine-4-carboxamide CHEMBL1416089 HMS1843F08 ZINC8611965 5-chloro-2-ethylsulfonyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide MLS003880625 5-chloranyl-2-ethylsulfonyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide BDBM54838 cid_16012896 SMR000625584 5-chloro-2-esyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide MCULE-5762921859 MolPort-000-399-417 5-chloro-2-(ethylsulfonyl)-N-(4-{[methyl(phenyl)amino]sulfonyl}phenyl)pyrimidine-4-carboxamide [ Show all ]
Inchi Key	BQRKTURWLVUUPM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H19ClN4O5S2/c1-3-31(27,28)20-22-13-17(21)18(24-20)19(26)23-14-9-11-16(12-10-14)32(29,30)25(2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,23,26)
PubChem CID	16012896
ChEMBL	CHEMBL1416089
IUPHAR	N/A
BindingDB	54838
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	2630.0 nM	N/A	BindingDB

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