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GPCR

NameAdenosine receptor A1
SpeciesRattus norvegicus (Rat)
GeneAdora1
SynonymA1R
A1 receptor
adenosine receptor A1
A1-AR
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

NameCHEMBL38811
Molecular formulaC15H15N3O2
IUPAC name1,3,7-trimethyl-6-phenylpyrrolo[2,3-d]pyrimidine-2,4-dione
Molecular weight269.304
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP1.5
SynonymsBDBM50041592
1,3,7-Trimethyl-6-phenyl-1,7-dihydro-pyrrolo[2,3-d]pyrimidine-2,4-dione
1,3,7-Trimethyl-6-phenyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Inchi KeyAANADUWCKMQMBR-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H15N3O2/c1-16-12(10-7-5-4-6-8-10)9-11-13(16)17(2)15(20)18(3)14(11)19/h4-9H,1-3H3
PubChem CID11777856
ChEMBLCHEMBL38811
IUPHARN/A
BindingDB50041592
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki11000.0 nMPMID8182711BindingDB,ChEMBL

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