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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	CHEMBL300624
Molecular formula	C17H16FN5O
IUPAC name	4-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-2-methylbut-3-yn-2-ol
Molecular weight	325.347
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	1.6
Synonyms	BDBM50095778 SCHEMBL5973145 4-[8-(3-Fluorophenyl)-6-amino-9-methyl-9H-purine-2-yl]-2-methyl-3-butyne-2-ol 4-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-yl]-2-methyl-but-3-yn-2-ol
Inchi Key	UWDBBNIVTAVDGD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H16FN5O/c1-17(2,24)8-7-12-20-14(19)13-16(21-12)23(3)15(22-13)10-5-4-6-11(18)9-10/h4-6,9,24H,1-3H3,(H2,19,20,21)
PubChem CID	10616023
ChEMBL	CHEMBL300624
IUPHAR	N/A
BindingDB	50095778
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	150.0 nM	PMID11170626	BindingDB,ChEMBL

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