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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	1,3-Dipropyl-8-phenylxanthine
Molecular formula	C17H20N4O2
IUPAC name	8-phenyl-1,3-dipropyl-7H-purine-2,6-dione
Molecular weight	312.373
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.0
Synonyms	AC1L2UFC CAS_128784 LS-126996 SCHEMBL661108 8-Phenyl-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione AKOS027320574 CHEMBL158507 NCGC00024614-02 Tocris-0486 8-Phenyl-1,3-dipropyl-3,9-dihydro-purine-2,6-dione BRD-K41853443-001-01-1 FT-0642015 PDSP2_000974 1H-Purine-2,6-dione, 3,7-dihydro-8-phenyl-1,3-dipropyl- AC1Q6LCH CHEBI:107631 MolPort-023-275-889 SR-01000597618 8-phenyl-1,3-dipropyl-1H-purine-2,6(3H,9H)-dione BDBM50227332 CLIGSMOZKDCDRZ-UHFFFAOYSA-N NSC_128784 ZINC3995438 8-phenyl-1,3-dipropyl-7H-purine-2,6-dione 85872-53-3 BRD-K41853443-001-02-9 HMS3266E16 SCHEMBL12648449 3,7-Dihydro-1,3-dipropyl-8-phenyl-1H-purine-2,6,dione AKOS024458381 NCGC00024614-01 SR-01000597618-1 8-phenyl-1,3-dipropyl-3,9-dihydro-1h-purine-2,6-dione 8-phenyl-1,3-dipropyl-9H-purine-2,6-dione BDBM82025 DB-056886 PDSP1_000990 1H-Purine-2,6,dione, 3,7-dihydro-1,3-dipropyl-8-phenyl- [ Show all ]
Inchi Key	CLIGSMOZKDCDRZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)
PubChem CID	128784
ChEMBL	CHEMBL158507
IUPHAR	N/A
BindingDB	82025
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	18.9 nM	PMID14761205, PMID12014951	BindingDB,ChEMBL

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