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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	MLS000564083
Molecular formula	C12H13Cl2N3O4
IUPAC name	5-[2-(2,5-dichlorophenyl)hydrazinyl]-3,3-bis(hydroxymethyl)-2H-1,4-oxazin-6-one
Molecular weight	334.153
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	1.1
Synonyms	SR-01000027934 AC1M4R74 5-[(2,5-dichlorophenyl)hydrazo]-3,3-bis(hydroxymethyl)-2H-1,4-oxazin-6-one CHEMBL1587672 5-[N''-(2,5-dichlorophenyl)hydrazino]-3,3-dimethylol-2H-1,4-oxazin-6-one SR-01000027934-1 BDBM67175 5-[2-(2,5-dichlorophenyl)hydrazinyl]-3,3-bis(hydroxymethyl)-2H-1,4-oxazin-6-one cid_2313746 SMR000151633 5-[2-[2,5-bis(chloranyl)phenyl]hydrazinyl]-3,3-bis(hydroxymethyl)-2H-1,4-oxazin-6-one HMS2394D05 [ Show all ]
Inchi Key	BSDLSFJBRDRQIQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H13Cl2N3O4/c13-7-1-2-8(14)9(3-7)16-17-10-11(20)21-6-12(4-18,5-19)15-10/h1-3,16,18-19H,4-6H2,(H,15,17)
PubChem CID	2313746
ChEMBL	CHEMBL1587672
IUPHAR	N/A
BindingDB	67175
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	3930.0 nM	N/A	BindingDB

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