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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	CHEMBL319971
Molecular formula	C17H14ClN5O2
IUPAC name	N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]butanamide
Molecular weight	355.782
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.2
Synonyms	SCHEMBL8111292 BDBM50053930 N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-butyramide N-[2-(2-Furyl)-9-chloro[1,2,4]triazolo[1,5-c]quinazolin-5-yl]butanamide
Inchi Key	ABTWJNSIYNEABB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H14ClN5O2/c1-2-4-14(24)20-17-19-12-7-6-10(18)9-11(12)16-21-15(22-23(16)17)13-5-3-8-25-13/h3,5-9H,2,4H2,1H3,(H,19,20,24)
PubChem CID	10594397
ChEMBL	CHEMBL319971
IUPHAR	N/A
BindingDB	50053930
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	37.6 nM	PMID8863790	BindingDB,ChEMBL

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