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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

NameCHEMBL610992
Molecular formulaC19H29N5O5
IUPAC name(3R,4S,5R)-2-[6-amino-2-(3-cyclohexylpropoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight407.471
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP2.7
SynonymsBDBM50370007
Inchi KeyAXQPZHZXHWEFFP-PZGKNFOESA-N
Inchi IDInChI=1S/C19H29N5O5/c20-16-13-17(24(10-21-13)18-15(27)14(26)12(9-25)29-18)23-19(22-16)28-8-4-7-11-5-2-1-3-6-11/h10-12,14-15,18,25-27H,1-9H2,(H2,20,22,23)/t12-,14-,15-,18?/m1/s1
PubChem CID46876267
ChEMBLCHEMBL610992
IUPHARN/A
BindingDB50370007
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki2800.0 nMPMID11170643BindingDB,ChEMBL

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