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GPCR

NameAdenosine receptor A3
SpeciesBos taurus (Bovine)
GeneADORA3
SynonymN/A
DiseaseN/A for non-human GPCRs
Length317
Amino acid sequenceMPVNSTAVSLASVTYISVEILIGLCAIVGNVLVIWVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVISLGVTIHFYSCLLMTCLLMIFTHASIMSLLAIAVDRYLRVKLTVRYRRVTTQRRIWLALGLCWLVSFLVGLTPMFGWNMKLSSADKNLTFLPCQFRSVMRMDYMVYFSFFTWILIPLVVMCAIYFDIFYVIRNRLSQNFSGSKETGAFYGREFKTAKSLSLVLFLFALSWLPLSIINCIIYFNGEVPQIVLYLGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVICQPSKSMDPSIEQTSE
UniProtQ0VC81
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1287626
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL112756
Molecular formulaC21H14N4O
IUPAC name3,10-diphenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
Molecular weight338.37
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.9
SynonymsBDBM50102282
3,10-Diphenyl[1,2,4]triazino[4,3-a]benzimidazole-4(10H)-one
3,10-Diphenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]triazin-4-one
Inchi KeyBFVHCJSDSWWYEY-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H14N4O/c26-20-19(15-9-3-1-4-10-15)22-23-21-24(16-11-5-2-6-12-16)17-13-7-8-14-18(17)25(20)21/h1-14H
PubChem CID10449783
ChEMBLCHEMBL112756
IUPHARN/A
BindingDB50102282
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki<1000.0 nMPMID20937560BindingDB,ChEMBL

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