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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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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	2'-Amino-2'-deoxyadenosine
Molecular formula	C10H14N6O3
IUPAC name	(2R,3S,4R,5R)-4-amino-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Molecular weight	266.261
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	-1.3
Synonyms	2'-amino-2'-deoxy-d-adenosine 414A810 Adenosine, 2'-amino-2'-deoxy- BDBM50106536 FT-0774323 SCHEMBL598130 (2R,3S,4R,5R)-4-amino-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol 2-Amino-2-deoxyadenosine 9-(2-Amino-2-deoxyfuranosyl)adenine AK-54704 cid_100053 KS-00000Y8O X-1456 10414-81-0 2AD ADENOSINE, 2'-AMINO,-2'-DEOXY AS-49373 DB-020372 NSC 324326 Adenosine,2'-amino-2'-deoxy- HG1019 ST24038316 (2R,3S,4R,5R)-4-amino-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol 2-AMINO-ADENOSINE AB0088000 AKOS016003830 CQKMBZHLOYVGHW-QYYRPYCUSA-N MFCD06657636 ZINC53204366 2''-AMINO-2''-DEOXYADENOSINE 4-Amino-5-(6-amino-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol ADENOSINE, 2'-AMINO,-2'-DEOXY- AX8070770 DB04102 NSC324326 (2R,3S,4R,5R)-4-amino-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol 2'-Deoxy-2'-aminoadenosine 9-(2-amino-2-deoxy-\|A-d-ribofuranosyl)-adenine AJ-112194 CHEMBL133809 KB-19622 TC-152794 0963AA 2-NH2-dA AC1L9L0O ANW-64049 CTK4A2778 MolPort-023-331-530 [ Show all ]
Inchi Key	CQKMBZHLOYVGHW-QYYRPYCUSA-N
Inchi ID	InChI=1S/C10H14N6O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1
PubChem CID	447594
ChEMBL	CHEMBL133809
IUPHAR	N/A
BindingDB	50106536
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	301.0 nM	PMID11708915	BindingDB,ChEMBL
Ki	1000000.0 nM	PMID11708915	BindingDB,ChEMBL

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