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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

NameCHEMBL184641
Molecular formulaC21H23F2N9O
IUPAC name5-N-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]propyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
Molecular weight455.474
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP2.8
SynonymsBDBM50152235
N*5*-{3-[4-(2,4-Difluoro-phenyl)-piperazin-1-yl]-propyl}-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
Inchi KeyAMLWSNGMGDVMSA-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23F2N9O/c22-14-4-5-16(15(23)13-14)31-10-8-30(9-11-31)7-2-6-25-20-27-19(24)32-21(28-20)26-18(29-32)17-3-1-12-33-17/h1,3-5,12-13H,2,6-11H2,(H3,24,25,26,27,28,29)
PubChem CID44394810
ChEMBLCHEMBL184641
IUPHARN/A
BindingDB50152235
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<500.0 nMPMID15341934BindingDB,ChEMBL

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