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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

NameCHEMBL256312
Molecular formulaC28H33ClN8O4
IUPAC name(1S,2R,3S,4R,5S)-4-[6-[[3-[6-(2-aminoethylamino)-6-oxohex-1-ynyl]phenyl]methylamino]-2-chloropurin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight581.074
Hydrogen bond acceptor9
Hydrogen bond donor6
XlogP0.7
SynonymsBDBM50377682
Inchi KeyKLKGDSNZDPZCMZ-SGDVHKFBSA-N
Inchi IDInChI=1S/C28H33ClN8O4/c1-31-26(41)28-13-18(28)21(22(39)23(28)40)37-15-34-20-24(35-27(29)36-25(20)37)33-14-17-8-5-7-16(12-17)6-3-2-4-9-19(38)32-11-10-30/h5,7-8,12,15,18,21-23,39-40H,2,4,9-11,13-14,30H2,1H3,(H,31,41)(H,32,38)(H,33,35,36)/t18-,21-,22+,23+,28+/m1/s1
PubChem CID44448951
ChEMBLCHEMBL256312
IUPHARN/A
BindingDB50377682
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki151.0 nMPMID18424135BindingDB,ChEMBL

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