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GPCR

NameAdenosine receptor A2b
SpeciesHomo sapiens (Human)
GeneADORA2B
SynonymA2B receptor
adenosine receptor A2b
A2b
A2BR
DiseaseNon-insulin dependent diabetes
Apnea
Asthma
Herpes simplex virus infection
Hypertension
[ Show all ]
Length332
Amino acid sequenceMLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFLVSLAAADVAVGLFAIPFAITISLGFCTDFYGCLFLACFVLVLTQSSIFSLLAVAVDRYLAICVPLRYKSLVTGTRARGVIAVLWVLAFGIGLTPFLGWNSKDSATNNCTEPWDGTTNESCCLVKCLFENVVPMSYMVYFNFFGCVLPPLLIMLVIYIKIFLVACRQLQRTELMDHSRTTLQREIHAAKSLAMIVGIFALCWLPVHAVNCVTLFQPAQGKNKPKWAMNMAILLSHANSVVNPIVYAYRNRDFRYTFHKIISRYLLCQADVKSGNGQAGVQPALGVGL
UniProtP29275
Protein Data BankN/A
GPCR-HGmod modelP29275
3D structure modelThis predicted structure model is from GPCR-EXP P29275.
BioLiPN/A
Therapeutic Target DatabaseT86679
ChEMBLCHEMBL255
IUPHAR20
DrugBankBE0000241

Ligand

NameCHEMBL235717
Molecular formulaC24H18ClN5O3
IUPAC nameN-[9-chloro-2-(4-methylphenyl)-1-oxotriazolo[1,2-a][1,2,4]benzotriazin-5-yl]-4-methoxybenzamide
Molecular weight459.89
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.7
SynonymsBDBM50224351
N-(8-chloro-1-oxo-2-p-tolyl-1H-3,3a,5,9b-tetraaza-cyclopenta[a]naphthalen-4-yl)-4-methoxy-benzamide
Inchi KeyAFELYHYFSKPYJC-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H18ClN5O3/c1-14-3-5-15(6-4-14)21-23(32)29-20-13-17(25)9-12-19(20)26-24(30(29)28-21)27-22(31)16-7-10-18(33-2)11-8-16/h3-13H,1-2H3,(H,26,27,31)
PubChem CID23657266
ChEMBLCHEMBL235717
IUPHARN/A
BindingDB50224351
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Activity26.0 %PMID17927167ChEMBL
IC50<1000.0 nMPMID17927167BindingDB,ChEMBL

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