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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	N6-Phenyladenosine
Molecular formula	C16H17N5O4
IUPAC name	(2R,3R,4S,5R)-2-(6-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	343.343
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	1.2
Synonyms	23589-16-4 N(6)-Phenyladenosine PDSP2_001010 AC1Q4YO5 CTK1A2659 NCGC00023481-03 SMR000058677 (2R,3R,4S,5R)-2-(6-anilinopurin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol BDBM42467 MLS001074192 Opera_ID_298 CHEMBL262083 n-phenyladenosine REGID_for_CID_101430 (2R,3R,4S,5R)-2-(6-anilino-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol Adenosine, N-phenyl- HMS2234O19 NCGC00023481-04 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-phenylazanylpurin-9-yl)oxolane-3,4-diol CHEBI:112766 MLS002153269 PDSP1_001026 AC1L2QTP cid_101430 SCHEMBL1050156 (2R,3R,4S,5R)-2-(6-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol AKOS030575567 MLS000069355 NSC 517192 [ Show all ]
Inchi Key	QVUUUSJUORLECR-XNIJJKJLSA-N
Inchi ID	InChI=1S/C16H17N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,22-24H,6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
PubChem CID	101430
ChEMBL	CHEMBL262083
IUPHAR	N/A
BindingDB	42467
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	-1.308 -	PMID18321038	ChEMBL
EC50	4920.0 nM	PMID18321038	BindingDB
logEC50	-5.308 -	PMID18321038	ChEMBL

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