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GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
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	MRS-1042
Molecular formula	C24H28O5
IUPAC name	2-phenyl-3,5,7-tripropoxychromen-4-one
Molecular weight	396.483
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	6.0
Synonyms	2-phenyl-3,5,7-tripropoxychromen-4-one D0XC9U 45382-EP2311806A2 MRS1042 3,5,7-Tripropyloxyflavone GTPL393 SCHEMBL1664122 2-phenyl-3,5,7-tripropoxy-chromen-4-one CHEMBL76273 BDBM50051337 [ Show all ]
Inchi Key	ABZJCSJCNNCZRY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H28O5/c1-4-12-26-18-15-19(27-13-5-2)21-20(16-18)29-23(17-10-8-7-9-11-17)24(22(21)25)28-14-6-3/h7-11,15-16H,4-6,12-14H2,1-3H3
PubChem CID	10500941
ChEMBL	CHEMBL76273
IUPHAR	393
BindingDB	50051337
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	316.0 nM	PMID9438021	BindingDB
Ki	316.228 nM	PMID8691424	IUPHAR
Ki	317.0 nM	PMID8691424	BindingDB,ChEMBL
pKi(uM)	0.5 -	PMID9438021	ChEMBL

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