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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

NameCID 71508724
Molecular formulaC15H23N7O8
IUPAC name(2S,3R,4R,5E)-5-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]hydrazinylidene]pentane-1,2,3,4-tetrol
Molecular weight429.39
Hydrogen bond acceptor14
Hydrogen bond donor9
XlogP-2.7
SynonymsN/A
Inchi KeyAJWNCIYQWILMPY-VGNVNQILSA-N
Inchi IDInChI=1S/C15H23N7O8/c16-12-8-13(22(4-17-8)14-11(29)10(28)7(3-24)30-14)20-15(19-12)21-18-1-5(25)9(27)6(26)2-23/h1,4-7,9-11,14,23-29H,2-3H2,(H3,16,19,20,21)/b18-1+/t5-,6+,7-,9-,10-,11-,14-/m1/s1
PubChem CID71508724
ChEMBLCHEMBL2326833
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition14.0 %PMID23245803ChEMBL
Ki<10000.0 nMPMID23245803ChEMBL

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