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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 A2a
Species	Rattus norvegicus (Rat)
Gene	Adora2a
Synonym	A2-AR A2A receptor adenosine receptor A2a RDC8
Disease	N/A for non-human GPCRs
Length	410
Amino acid sequence	MGSSVYITVELAIAVLAILGNVLVCWAVWINSNLQNVTNFFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFFACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGVRAKGIIAICWVLSFAIGLTPMLGWNNCSQKDGNSTKTCGEGRVTCLFEDVVPMNYMVYYNFFAFVLLPLLLMLAIYLRIFLAARRQLKQMESQPLPGERTRSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCSTCRHAPPWLMYLAIILSHSNSVVNPFIYAYRIREFRQTFRKIIRTHVLRRQEPFQAGGSSAWALAAHSTEGEQVSLRLNGHPLGVWANGSATHSGRRPNGYTLGLGGGGSAQGSPRDVELPTQERQEGQEHPGLRGHLVQARVGASSWSSEFAPS
UniProt	P30543
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	CHEMBL302
IUPHAR	19
DrugBank	N/A

Ligand

Name	3-DEAZAADENOSINE
Molecular formula	C11H14N4O4
IUPAC name	(2R,3R,4S,5R)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	266.257
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	-1.6
Synonyms	Adenosine, 3-deaza- DHCDA MolPort-003-941-166 1H-Imidazo(4,5-c)pyridin-4-amine, 1-beta-D-ribofuranosyl- (9CI) 4-Amino-1-(\|A-D-ribofuranosyl)-1H-imidazo(4,5)-pyridine BDBM82055 CTK8F5031 GTPL5115 SCHEMBL1738519 (2R,3R,4S,5R)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol 3-Deaza Adenosine AC1L2LUJ CAS_6736-58-9 DB04546 KB-31525 ZINC18193375 037V4520IY 3-Deazaadenosine, 3-DeazaA AJ-70456 CHEMBL202701 DTXSID2040941 NSC 167897 1H-Imidazo(4,5-c)pyridine, 4-amino-1-beta-D-ribofuranosyl- (8CI) 4-amino-1-beta-d-ribofuranosyl-1h-imidazo[4,5-c]pyridine BIDD:GT0703 C^3Ado HY-W013332 ST24033995 (2R,3R,4S,5R)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol 3-deaza-adenosine 86583-19-9 AD3 Cc3Ado Deaza-Ado MFCD00153951 {1H-Imidazo[4,5-c]pyridine,} 4-amino-1-.beta.-D-ribofuranosyl- 1-(beta-D-ribofuranosyl)-1H-imidazo[4,5-c]pyridin-4-amine 3DZA AKOS024260271 CS-W014048 FT-0665514 NSC167897 (2R,3R,4S,5R)-2-(4-Amino-1H-imidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol 1hp0 6736-58-9 BW-91Y78 D0I7TN J-700350 UNII-037V4520IY (2R,3R,4S,5R)-2-{4-amino-1H-imidazo[4,5-c]pyridin-1-yl}-5-(hydroxymethyl)oxolane-3,4-diol 9-Deazaado [ Show all ]
Inchi Key	DBZQFUNLCALWDY-PNHWDRBUSA-N
Inchi ID	InChI=1S/C11H14N4O4/c12-10-7-5(1-2-13-10)15(4-14-7)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1
PubChem CID	23190
ChEMBL	CHEMBL202701
IUPHAR	N/A
BindingDB	82055
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	<10000.0 nM	PMID3010074	BindingDB
Ki	59800.0 nM	PMID7707320	BindingDB,ChEMBL

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