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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	14114-46-6
Molecular formula	C10H10N4O2
IUPAC name	3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione
Molecular weight	218.216
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	0.0
Synonyms	C-56140 DMPX IORPOFJLSIHJOG-UHFFFAOYSA-N NCGC00015312-01 NCGC00261113-01 Tox21_500428 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(2-propynyl)- 3,7-Dimethyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dione AC1L40ZE AKOS016001452 CHEMBL282038 EU-0100428 Lopac0_000428 NCGC00015312-04 NSC242985 3,7-dimethyl-1-(2-propyn-1-yl)-3,7-dihydro-1h-purine-2,6-dione 3,7-Dimethyl-1-propargylxanthine, >=98% (HPLC), powder BCP26239 CTK8B7549 HMS3261E18 MFCD00078576 NCGC00093849-02 SR-01000075249 3,7-dimethyl-1-(prop-2-yn-1-yl)purine-2,6-dione 5YFR5SPS6T CCG-204520 DS-16284 J-007467 NCGC00015312-02 NSC 242985 UNII-5YFR5SPS6T 1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-(2-propyn-1-yl)- 3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione AC1Q6LFB ANW-57638 CJ-29818 FT-0614782 LP00428 NCGC00015312-05 SCHEMBL44805 3,7-Dimethyl-1-(2-propynyl)xanthine 3,7-Dimethyl-I-propargylxanthine BDBM50008386 D-134 HMS3370E07 MLS000862190 NCGC00093849-03 SR-01000075249-1 3,7-dimethyl-1-(prop-2-ynyl)-1H-purine-2,6(3H,7H)-dione 6856AA DTXSID30161577 Lopac-D-134 NCGC00015312-03 NSC-242985 ZINC1764195 3,7-dihydro-3,7-dimethyl-1-(2-propynyl)-1H-purine-2,6-dione 3,7-Dimethyl-1-propargylxanthine AJ-31622 AX8083132 CS-W004425 HMS2231E22 LS-184216 NCGC00093849-01 SMR000326953 3,7-Dimethyl-1-(prop-2-yn-1-yl)-1H-purine-2,6(3H,7H)-dione [ Show all ]
Inchi Key	IORPOFJLSIHJOG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H10N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h1,6H,5H2,2-3H3
PubChem CID	99562
ChEMBL	CHEMBL282038
IUPHAR	N/A
BindingDB	50008386
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	5600.0 nM	PMID24139167	ChEMBL
Ki	8600.0 nM	PMID9435909	BindingDB,ChEMBL
Ki	16000.0 nM	PMID9435909	BindingDB,ChEMBL

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