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GPCR

NameAdenosine receptor A2b
SpeciesHomo sapiens (Human)
GeneADORA2B
Synonymadenosine receptor A2b
A2BR
A2B receptor
A2b
DiseaseParoxysmal supraventricular tachycardia
Non-insulin dependent diabetes
Hypertension
Herpes simplex virus infection
Apnea
[ 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

NameCHEMBL1927430
Molecular formulaC19H28N8O5
IUPAC nametert-butyl N-[2-[2-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethoxy]ethoxy]ethyl]carbamate
Molecular weight448.484
Hydrogen bond acceptor11
Hydrogen bond donor3
XlogP1.0
SynonymsBDBM50360204
Inchi KeyAELSDQALOKPCDU-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H28N8O5/c1-19(2,3)32-18(28)22-7-10-30-12-11-29-9-6-21-16-24-15(20)27-17(25-16)23-14(26-27)13-5-4-8-31-13/h4-5,8H,6-7,9-12H2,1-3H3,(H,22,28)(H3,20,21,23,24,25,26)
PubChem CID51050940
ChEMBLCHEMBL1927430
IUPHARN/A
BindingDB50360204
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID21214204BindingDB,ChEMBL

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