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GPCR

NameAdenosine receptor A1
SpeciesMus musculus (Mouse)
GeneAdora1
SynonymA1 receptor
A1-AR
A1R
adenosine receptor A1
RDC7
DiseaseN/A for non-human GPCRs
Length326
Amino acid sequenceMPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSEVEQAWIANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIEEDIPEEKADD
UniProtQ60612
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3688
IUPHAR18
DrugBankN/A

Ligand

NameCHEMBL257833
Molecular formulaC26H27ClN6O5
IUPAC name6-[6-[(3-chlorophenyl)methylamino]-9-[(1S,2R,3S,4R,5S)-3,4-dihydroxy-5-(methylcarbamoyl)-2-bicyclo[3.1.0]hexanyl]purin-2-yl]hex-5-ynoic acid
Molecular weight538.989
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP1.6
SynonymsBDBM50377686
MRS-5151
Inchi KeyVWHZKAYCOHCKRI-CSTWGOEFSA-N
Inchi IDInChI=1S/C26H27ClN6O5/c1-28-25(38)26-11-16(26)20(21(36)22(26)37)33-13-30-19-23(29-12-14-6-5-7-15(27)10-14)31-17(32-24(19)33)8-3-2-4-9-18(34)35/h5-7,10,13,16,20-22,36-37H,2,4,9,11-12H2,1H3,(H,28,38)(H,34,35)(H,29,31,32)/t16-,20-,21+,22+,26+/m1/s1
PubChem CID44232535
ChEMBLCHEMBL257833
IUPHARN/A
BindingDB50377686
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki10500.0 nMPMID18424135BindingDB,ChEMBL

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