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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

NameCHEMBL407372
Molecular formulaC28H25F6N5O4
IUPAC name6-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]-1,3-bis(2,2,2-trifluoroethyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
Molecular weight609.529
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP4.9
SynonymsN/A
Inchi KeyACZPVONLWCNWJJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H25F6N5O4/c29-27(30,31)16-38-22-14-21(35-24(22)25(41)39(26(38)42)17-28(32,33)34)18-6-8-20(9-7-18)43-15-23(40)37-12-10-36(11-13-37)19-4-2-1-3-5-19/h1-9,14,35H,10-13,15-17H2
PubChem CID44451000
ChEMBLCHEMBL407372
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Activity32.0 %PMID18226909ChEMBL

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