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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Adenosine receptor A3
Species	Rattus norvegicus (Rat)
Gene	Adora3
Synonym	A3 receptor A3AR Adenosine receptor A3 ARA3 TGPCR1
Disease	N/A for non-human GPCRs
Length	320
Amino acid sequence	MKANNTTTSALWLQITYITMEAAIGLCAVVGNMLVIWVVKLNRTLRTTTFYFIVSLALADIAVGVLVIPLAIAVSLEVQMHFYACLFMSCVLLVFTHASIMSLLAIAVDRYLRVKLTVRYRTVTTQRRIWLFLGLCWLVSFLVGLTPMFGWNRKVTLELSQNSSTLSCHFRSVVGLDYMVFFSFITWILIPLVVMCIIYLDIFYIIRNKLSQNLTGFRETRAFYGREFKTAKSLFLVLFLFALCWLPLSIINFVSYFNVKIPEIAMCLGILLSHANSMMNPIVYACKIKKFKETYFVILRACRLCQTSDSLDSNLEQTTE
UniProt	P28647
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3360
IUPHAR	21
DrugBank	N/A

Ligand

Name	CHEMBL96385
Molecular formula	C16H11N3O
IUPAC name	9-phenyl-3H-pyrimido[4,5-b]indol-4-one
Molecular weight	261.284
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.8
Synonyms	9-Phenyl-3,9-dihydro-pyrimido[4,5-b]indol-4-one 4-Hydroxy-9-phenyl-9H-pyrimido[4,5-b]indole 9-Phenyl-9H-1,3,9-triaza-fluoren-4-ol BDBM50014297 SCHEMBL14564553
Inchi Key	ZXMGBUXZYPSVIK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H11N3O/c20-16-14-12-8-4-5-9-13(12)19(15(14)17-10-18-16)11-6-2-1-3-7-11/h1-10H,(H,17,18,20)
PubChem CID	136044063
ChEMBL	CHEMBL96385
IUPHAR	N/A
BindingDB	50014297
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	20.0 %	PMID8691445	ChEMBL

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