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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 A2b
Species	Homo sapiens (Human)
Gene	ADORA2B
Synonym	adenosine receptor A2b A2BR A2B receptor A2b
Disease	Paroxysmal supraventricular tachycardia Non-insulin dependent diabetes Hypertension Herpes simplex virus infection Apnea Asthma [ Show all ]
Length	332
Amino acid sequence	MLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFLVSLAAADVAVGLFAIPFAITISLGFCTDFYGCLFLACFVLVLTQSSIFSLLAVAVDRYLAICVPLRYKSLVTGTRARGVIAVLWVLAFGIGLTPFLGWNSKDSATNNCTEPWDGTTNESCCLVKCLFENVVPMSYMVYFNFFGCVLPPLLIMLVIYIKIFLVACRQLQRTELMDHSRTTLQREIHAAKSLAMIVGIFALCWLPVHAVNCVTLFQPAQGKNKPKWAMNMAILLSHANSVVNPIVYAYRNRDFRYTFHKIISRYLLCQADVKSGNGQAGVQPALGVGL
UniProt	P29275
Protein Data Bank	N/A
GPCR-HGmod model	P29275
3D structure model	This predicted structure model is from GPCR-EXP P29275.
BioLiP	N/A
Therapeutic Target Database	T86679
ChEMBL	CHEMBL255
IUPHAR	20
DrugBank	BE0000241

Ligand

Name	CHEMBL301512
Molecular formula	C20H20FN5O
IUPAC name	1-[2-[6-amino-8-(2-fluorophenyl)-9-methylpurin-2-yl]ethynyl]cyclohexan-1-ol
Molecular weight	365.412
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.6
Synonyms	1-[[8-(2-Fluorophenyl)-6-amino-9-methyl-9H-purine-2-yl]ethynyl]cyclohexanol 1-[6-Amino-8-(2-fluoro-phenyl)-9-methyl-9H-purin-2-ylethynyl]-cyclohexanol BDBM50095788
Inchi Key	OGMPGZVDXMCVJD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H20FN5O/c1-26-18(13-7-3-4-8-14(13)21)25-16-17(22)23-15(24-19(16)26)9-12-20(27)10-5-2-6-11-20/h3-4,7-8,27H,2,5-6,10-11H2,1H3,(H2,22,23,24)
PubChem CID	10618828
ChEMBL	CHEMBL301512
IUPHAR	N/A
BindingDB	50095788
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	77.0 nM	PMID11170626	BindingDB
IC50	77.0 nM	PMID11170626	ChEMBL

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