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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

NameCHEMBL2113696
Molecular formulaC18H19ClN6O2
IUPAC name(2S,5R)-5-[6-(benzylamino)-2-chloropurin-9-yl]-N-methyloxolane-2-carboxamide
Molecular weight386.84
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.6
SynonymsN-Methyl-5alpha-(2-chloro-6-benzylamino-9H-purin-9-yl)tetrahydrofuran-2alpha-carboxamide
BDBM50453655
Inchi KeyFIIWZBDATTWLSY-QWHCGFSZSA-N
Inchi IDInChI=1S/C18H19ClN6O2/c1-20-17(26)12-7-8-13(27-12)25-10-22-14-15(23-18(19)24-16(14)25)21-9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,20,26)(H,21,23,24)/t12-,13+/m0/s1
PubChem CID11545520
ChEMBLCHEMBL2113696
IUPHARN/A
BindingDB50453655
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki11500.0 nMPMID7752196BindingDB,ChEMBL

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