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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	PSB 603
Molecular formula	C24H25ClN6O4S
IUPAC name	8-[4-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione
Molecular weight	529.012
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.4
Synonyms	(8-[4-[4-(4-chlorophenyl)piperazine-1-sulfonyl)phenyl]]-1-propylxanthine AKOS024457472 GTPL5728 ZINC49872110 CHEMBL483688 8-[4-[4-(4-chlorophenzyl)piperazide-1-sulfonyl)phenyl]]-1-propylxanthine D0Z1ZU PSB603 BDBM50268232 J-002249 [3H]PSB603 CTK8G2646 PSB-603 8-{4-[4-(4-chlorophenyl)piperazine-1-sulfonyl]phenyl}-1-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione GTPL3284 SCHEMBL17387706 MolPort-023-276-690 8-(4-(4-(4-Chlorophenyl)piperazine-1-sulfonyl)phenyl)-1-propyl-3,7-dihydropurine-2,6-dione D0Y5WQ PSB-603, >=98% (HPLC) [ Show all ]
Inchi Key	OVHCTHHFOHMNFV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H25ClN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-3-9-19(10-4-16)36(34,35)30-14-12-29(13-15-30)18-7-5-17(25)6-8-18/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33)
PubChem CID	44185871
ChEMBL	CHEMBL483688
IUPHAR	5728, 3284
BindingDB	50268232
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Activity	70.0 %	PMID19569717	ChEMBL
Bmax	502.0 fmol	PMID19569717	ChEMBL
IC50	1.13 nM	PMID19569717	BindingDB,ChEMBL
Kd	0.398107 nM	PMID19569717	IUPHAR
Kd	0.403 nM	PMID19569717	BindingDB,IUPHAR,ChEMBL
Kd	0.652 nM	PMID19569717	BindingDB,ChEMBL
Ki	0.553 nM	PMID19569717	PDSP
Ki	0.553 nM	PMID19569717	BindingDB,IUPHAR,ChEMBL
T1/2	0.2133 hr	PMID19569717	ChEMBL
T1/2	0.4033 hr	PMID19569717	ChEMBL

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