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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

NameCHEMBL367705
Molecular formulaC13H13N5O
IUPAC name5-(4-aminophenyl)-1,3-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
Molecular weight255.281
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP0.7
SynonymsBDBM50025717
SCHEMBL10871628
5-(4-Amino-phenyl)-1,3-dimethyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
Inchi KeyADQCDAFPEZXGEW-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H13N5O/c1-7-10-11(18(2)17-7)13(19)16-12(15-10)8-3-5-9(14)6-4-8/h3-6H,14H2,1-2H3,(H,15,16,19)
PubChem CID135626433
ChEMBLCHEMBL367705
IUPHARN/A
BindingDB50025717
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50380.0 nMPMID3806606BindingDB,ChEMBL
PCY2.4 -PMID3806606ChEMBL

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