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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

NameCHEMBL2113407
Molecular formulaC18H24N6O5
IUPAC name(2S,3S,4R,5R)-5-[6-amino-2-(6-hydroxyhex-1-ynyl)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight404.427
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP-0.8
SynonymsBDBM50453353
2-(6-Hydroxy-1-hexynyl)-5'-(ethylamino)-5'-oxo-5'-deoxyadenosine
Inchi KeyAPICKFOATAPNKD-MOROJQBDSA-N
Inchi IDInChI=1S/C18H24N6O5/c1-2-20-17(28)14-12(26)13(27)18(29-14)24-9-21-11-15(19)22-10(23-16(11)24)7-5-3-4-6-8-25/h9,12-14,18,25-27H,2-4,6,8H2,1H3,(H,20,28)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1
PubChem CID10386492
ChEMBLCHEMBL2113407
IUPHARN/A
BindingDB50453353
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<10000.0 nMPMID8201607BindingDB,ChEMBL
Ki42.0 nMPMID8201607BindingDB
Ki42.1 nMPMID8201607ChEMBL

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