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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 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	N6-Cyclopentyladenosine
Molecular formula	C15H21N5O4
IUPAC name	(2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	335.364
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	0.9
Synonyms	n-cyclopentyl-adenosine NCGC00023909-05 ST24026157 (2R,3R,4S,5R)-2-(6-(Cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol 7LG47VG1ID CHEMBL68738 KB-206470 PDSP1_001069 Adenosine, N-cyclopentyl- Cyclopentyladenosine MLS000028368 N6-CyclopentylAdo SMR000058639 41552-82-3 BDBM25400 HMS2232M15 MolPort-023-276-193 n-cyclopentyladenosine NCGC00023909-06 UNII-7LG47VG1ID (2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol AC-27402 cid_657378 LS-15119 N6-cyclopentyladenosine (CPA) PDSP2_001053 AJ-47612 D03RFA MLS001077332 NCGC00023909-04 SQMWSBKSHWARHU-SDBHATRESA-N 5720AB J-523544 N(6)-Cyclopentyladenosine n6-cyclopentyl-adenosine Opera_ID_1056 ZINC3995996 (2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol AC1LCWG1 CTK1D5898 MFCD00036845 N6-Cyclopentyladenosine, solid SCHEMBL120481 3GU AKOS016009596 GTPL380 MLS002153196 [ Show all ]
Inchi Key	SQMWSBKSHWARHU-SDBHATRESA-N
Inchi ID	InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
PubChem CID	657378
ChEMBL	CHEMBL68738
IUPHAR	380
BindingDB	25400
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Displacement	45.9 %	PMID11520205	ChEMBL
Ki	321.0 nM	PMID10479279	BindingDB,ChEMBL
Ki	331.0 nM	PMID26392370	BindingDB,ChEMBL
Ki	336.0 nM	PMID1495019	BindingDB
Ki	380.0 nM	PMID11881988	BindingDB,ChEMBL
Ki	460.0 nM	PMID26392370	BindingDB,ChEMBL
Ki	462.0 nM	PMID7932588	BindingDB,ChEMBL
Ki	510.0 nM	PMID1554381	BindingDB
Ki	580.0 nM	PMID7562934, PMID9438026, PMID10999489, PMID10212125	BindingDB,ChEMBL
Ki	857.0 nM	PMID10841798	BindingDB,ChEMBL
Ki	2000.0 nM	PMID3216901	BindingDB
Ki	2470.0 nM	PMID20188574	BindingDB,ChEMBL
Ki	3370.0 nM	PMID10649980	BindingDB,ChEMBL

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