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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

NameCHEMBL286739
Molecular formulaC13H16ClN5O3
IUPAC name(1R,2R,3S,4R,5S)-4-[2-chloro-6-(methylamino)purin-9-yl]-1-(hydroxymethyl)bicyclo[3.1.0]hexane-2,3-diol
Molecular weight325.753
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP0.2
SynonymsBDBM50100425
N-Methyl-2-chloro-9-[(1beta)-3alpha,4alpha-dihydroxy-5beta-(hydroxymethyl)bicyclo[3.1.0]hexane-2beta-yl]-9H-purine-6-amine
(1R,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9-yl)-1-hydroxymethyl-bicyclo[3.1.0]hexane-2,3-diol
Inchi KeyFPCPEWCTMNCASH-XEMBYONJSA-N
Inchi IDInChI=1S/C13H16ClN5O3/c1-15-10-6-11(18-12(14)17-10)19(4-16-6)7-5-2-13(5,3-20)9(22)8(7)21/h4-5,7-9,20-22H,2-3H2,1H3,(H,15,17,18)/t5-,7-,8+,9+,13+/m1/s1
PubChem CID44276349
ChEMBLCHEMBL286739
IUPHARN/A
BindingDB50100425
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki884.0 nMPMID11392549BindingDB,ChEMBL

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