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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

NameCHEMBL383548
Molecular formulaC20H20Cl2N6O5
IUPAC name(2S,3S,4R,5R)-5-[6-[[2-(2,4-dichlorophenyl)acetyl]amino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight495.317
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.2
Synonyms(2S,3S,4R,5R)-5-(6-(2-(2,4-dichlorophenyl)acetamido)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide
BDBM50179038
N-(alpha-Oxo-2,4-dichlorophenethyl)-5'-(ethylamino)-5'-oxo-5'-deoxyadenosine
Inchi KeyAYIOONPUFNVWIY-KSVNGYGVSA-N
Inchi IDInChI=1S/C20H20Cl2N6O5/c1-2-23-19(32)16-14(30)15(31)20(33-16)28-8-26-13-17(24-7-25-18(13)28)27-12(29)5-9-3-4-10(21)6-11(9)22/h3-4,6-8,14-16,20,30-31H,2,5H2,1H3,(H,23,32)(H,24,25,27,29)/t14-,15+,16-,20+/m0/s1
PubChem CID10577168
ChEMBLCHEMBL383548
IUPHARN/A
BindingDB50179038
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki16.0 nMPMID9703463BindingDB,ChEMBL

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