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GPCR

NameAdenosine receptor A1
SpeciesRattus norvegicus (Rat)
GeneAdora1
SynonymA1 receptor
A1-AR
A1R
adenosine receptor A1
RDC7
DiseaseN/A for non-human GPCRs
Length326
Amino acid sequenceMPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
UniProtP25099
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL318
IUPHAR18
DrugBankN/A

Ligand

NameCHEMBL1092868
Molecular formulaC16H13N7O2S
IUPAC name1-[2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-3-phenylurea
Molecular weight367.387
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.4
SynonymsBDBM50315589
1-(2-(furan-2-yl)-5-(methylthio)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl)-3-phenylurea
Inchi KeyAIUWWXNDBNYFMD-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H13N7O2S/c1-26-16-20-13-18-12(11-8-5-9-25-11)22-23(13)14(21-16)19-15(24)17-10-6-3-2-4-7-10/h2-9H,1H3,(H2,17,18,19,20,21,22,24)
PubChem CID46885471
ChEMBLCHEMBL1092868
IUPHARN/A
BindingDB50315589
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki10000.0 nMPMID20304654BindingDB,ChEMBL

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