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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.
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 A2b
Species	Rattus norvegicus (Rat)
Gene	Adora2b
Synonym	A2b A2B receptor A2BR adenosine receptor A2b
Disease	N/A for non-human GPCRs
Length	332
Amino acid sequence	MQLETQDALYVALELVIAALAVAGNVLVCAAVGASSALQTPTNYFLVSLATADVAVGLFAIPFAITISLGFCTDFHSCLFLACFVLVLTQSSIFSLLAVAVDRYLAIRVPLRYKGLVTGTRARGIIAVLWVLAFGIGLTPFLGWNSKDRATSNCTEPGDGITNKSCCPVKCLFENVVPMSYMVYFNFFGCVLPPLLIMMVIYIKIFMVACKQLQHMELMEHSRTTLQREIHAAKSLAMIVGIFALCWLPVHAINCITLFHPALAKDKPKWVMNVAILLSHANSVVNPIVYAYRNRDFRYSFHRIISRYVLCQTDTKGGSGQAGGQSTFSLSL
UniProt	P29276
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	CHEMBL2592
IUPHAR	20
DrugBank	N/A

Ligand

Name	CHEMBL51394
Molecular formula	C20H21N5O
IUPAC name	1-[2-(6-amino-9-methyl-8-phenylpurin-2-yl)ethynyl]cyclohexan-1-ol
Molecular weight	347.422
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.5
Synonyms	1-[(8-Phenyl-6-amino-9-methyl-9H-purine-2-yl)ethynyl]cyclohexanol
Inchi Key	CKFJHQMBLWWHAH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H21N5O/c1-25-18(14-8-4-2-5-9-14)24-16-17(21)22-15(23-19(16)25)10-13-20(26)11-6-3-7-12-20/h2,4-5,8-9,26H,3,6-7,11-12H2,1H3,(H2,21,22,23)
PubChem CID	10807613
ChEMBL	CHEMBL51394
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	760.0 nM	PMID11170626	ChEMBL

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