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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

NameCHEMBL72117
Molecular formulaC15H18N4O2
IUPAC name5,7-dipropyl-1H-imidazo[4,5-g]quinazoline-6,8-dione
Molecular weight286.335
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.2
Synonyms5,7-Dipropyl-1,5-dihydro-imidazo[4,5-g]quinazoline-6,8-dione
BDBM50018580
Inchi KeyABGATFKESODHNX-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H18N4O2/c1-3-5-18-13-8-12-11(16-9-17-12)7-10(13)14(20)19(6-4-2)15(18)21/h7-9H,3-6H2,1-2H3,(H,16,17)
PubChem CID44311876
ChEMBLCHEMBL72117
IUPHARN/A
BindingDB50018580
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki123.0 nMPMID2795597BindingDB,ChEMBL

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