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GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL83863
Molecular formula	C22H21ClN4
IUPAC name	2-(3-chlorophenyl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine
Molecular weight	376.888
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	5.3
Synonyms	2-(3-Chloro-phenyl)-5,6-dimethyl-7-((R)-1-phenyl-ethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine BDBM50051657 2-(3-Chlorophenyl)-5,6-dimethyl-7-[(R)-alpha-methylbenzyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Inchi Key	AUONECWBDHODLJ-OAHLLOKOSA-N
Inchi ID	InChI=1S/C22H21ClN4/c1-13-14(2)27(15(3)16-8-5-4-6-9-16)22-19(13)20(24)25-21(26-22)17-10-7-11-18(23)12-17/h4-12,15H,1-3H3,(H2,24,25,26)/t15-/m1/s1
PubChem CID	9929597
ChEMBL	CHEMBL83863
IUPHAR	N/A
BindingDB	50051657
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	16300.0 nM	PMID8691445	BindingDB,ChEMBL

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