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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

NameCHEMBL335950
Molecular formulaC31H25N7O2
IUPAC nameN-[4-(furan-2-yl)-11-(3-phenylpropyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2-naphthalen-1-ylacetamide
Molecular weight527.588
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.4
SynonymsN-[2-Furan-2-yl-8-(3-phenyl-propyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-2-naphthalen-1-yl-acetamide
BDBM50133368
N-(2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-2-(naphthalen-1-yl)acetamide
Inchi KeyOOTVLKSCGYKBDY-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H25N7O2/c39-27(19-23-14-6-13-22-12-4-5-15-24(22)23)32-31-34-28-25(30-33-29(36-38(30)31)26-16-8-18-40-26)20-37(35-28)17-7-11-21-9-2-1-3-10-21/h1-6,8-10,12-16,18,20H,7,11,17,19H2,(H,32,34,35,39)
PubChem CID10007115
ChEMBLCHEMBL335950
IUPHARN/A
BindingDB50133368
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki300.0 nMPMID20937560BindingDB,ChEMBL

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