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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Adenosine receptor A3
Species	Homo sapiens (Human)
Gene	ADORA3
Synonym	ARA3 Adenosine receptor A3 A3AR A3 receptor TGPCR1
Disease	Cerebrovascular ischaemia Malaria Ischemia Inflammation Hepatocellular carcinoma; Hepatitis C virus infection Glaucoma Cancer [ Show all ]
Length	318
Amino acid sequence	MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKRVTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYFSFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFALSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVVCHPSDSLDTSIEKNSE
UniProt	P0DMS8
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T36059
ChEMBL	CHEMBL256
IUPHAR	21
DrugBank	BE0000354

Ligand

Name	CHEMBL72007
Molecular formula	C19H20N4O
IUPAC name	1-(2-tert-butylquinazolin-4-yl)-3-phenylurea
Molecular weight	320.396
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.1
Synonyms	1-(2-tert-Butyl-4-quinazolinyl)-3-phenylurea BDBM50088464 1-(2-tert-Butyl-quinazolin-4-yl)-3-phenyl-urea
Inchi Key	ABIZQMXTMRRNQH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H20N4O/c1-19(2,3)17-21-15-12-8-7-11-14(15)16(22-17)23-18(24)20-13-9-5-4-6-10-13/h4-12H,1-3H3,(H2,20,21,22,23,24)
PubChem CID	10615661
ChEMBL	CHEMBL72007
IUPHAR	N/A
BindingDB	50088464
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	78700000.0 nM	PMID10841801	BindingDB,ChEMBL

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