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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	MLS001116367
Molecular formula	C19H17ClN4O5S2
IUPAC name	5-chloro-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfonylpyrimidine-4-carboxamide
Molecular weight	480.938
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.3
Synonyms	MolPort-000-399-296 5-chloro-N-(4-{[methyl(phenyl)amino]sulfonyl}phenyl)-2-(methylsulfonyl)pyrimidine-4-carboxamide STK908420 5-chloro-N-{4-[methyl(phenyl)sulfamoyl]phenyl}-2-(methylsulfonyl)pyrimidine-4-carboxamide D053-0282 5-chloranyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfonyl-pyrimidine-4-carboxamide BDBM67354 NCGC00115040-01 5-chloro-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfonyl-4-pyrimidinecarboxamide CHEMBL1332454 ZINC8611924 HMS1843D06 MLS003880622 5-chloro-2-mesyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide CCG-100325 SMR000625581 5-chloro-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfonylpyrimidine-4-carboxamide cid_16012865 AKOS001873227 MCULE-9344992102 [ Show all ]
Inchi Key	GVDDPQRQWABRJN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H17ClN4O5S2/c1-24(14-6-4-3-5-7-14)31(28,29)15-10-8-13(9-11-15)22-18(25)17-16(20)12-21-19(23-17)30(2,26)27/h3-12H,1-2H3,(H,22,25)
PubChem CID	16012865
ChEMBL	CHEMBL1332454
IUPHAR	N/A
BindingDB	67354
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	4010.0 nM	N/A	BindingDB

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