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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

NameCHEMBL66811
Molecular formulaC24H19N7O2
IUPAC name4-(furan-2-yl)-10-[(4-phenylmethoxyphenyl)methyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
Molecular weight437.463
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50064699
7-(4-Benzyloxy-benzyl)-2-furan-2-yl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
Inchi KeyALPXBFYOHXHXPE-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H19N7O2/c25-24-28-22-19(23-27-21(29-31(23)24)20-7-4-12-32-20)13-26-30(22)14-16-8-10-18(11-9-16)33-15-17-5-2-1-3-6-17/h1-13H,14-15H2,(H2,25,28)
PubChem CID10812872
ChEMBLCHEMBL66811
IUPHARN/A
BindingDB50064699
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki9450.0 nMPMID9622554BindingDB
Ki9450.0 nMPMID9622554ChEMBL

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