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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

NameCHEMBL2089350
Molecular formulaC33H28ClN5O2
IUPAC name(1R,2R,3S,4R,5S)-4-[2-[2-(2-chlorophenyl)ethynyl]-6-(2,2-diphenylethylamino)purin-9-yl]bicyclo[3.1.0]hexane-2,3-diol
Molecular weight562.07
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP5.6
SynonymsBDBM50420431
Inchi KeyANSDMAXSXDGSEJ-MZYFYRIISA-N
Inchi IDInChI=1S/C33H28ClN5O2/c34-26-14-8-7-13-22(26)15-16-27-37-32(35-18-25(20-9-3-1-4-10-20)21-11-5-2-6-12-21)28-33(38-27)39(19-36-28)29-23-17-24(23)30(40)31(29)41/h1-14,19,23-25,29-31,40-41H,17-18H2,(H,35,37,38)/t23-,24+,29+,30+,31-/m0/s1
PubChem CID70687117
ChEMBLCHEMBL2089350
IUPHARN/A
BindingDB50420431
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition23.0 %PMID23789857ChEMBL

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