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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	CHEMBL201496
Molecular formula	C25H23N5O4
IUPAC name	N-(4-cyanophenyl)-2-[4-(1,3-diethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide
Molecular weight	457.49
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.9
Synonyms	BDBM50410773 SCHEMBL6504648
Inchi Key	AJVYKTWTYTZZBL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H23N5O4/c1-3-29-21-13-20(28-23(21)24(32)30(4-2)25(29)33)17-7-11-19(12-8-17)34-15-22(31)27-18-9-5-16(14-26)6-10-18/h5-13,28H,3-4,15H2,1-2H3,(H,27,31)
PubChem CID	11525368
ChEMBL	CHEMBL201496
IUPHAR	N/A
BindingDB	50410773
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	20.0 %	PMID16392813	ChEMBL
Inhibition	79.0 %	PMID16392813	ChEMBL
Ki	13.49 nM	PMID16392813	BindingDB,ChEMBL

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