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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

NameCHEMBL315562
Molecular formulaC16H11FN8O
IUPAC name4-[(4-fluorophenyl)methyl]-11-(furan-2-yl)-3,4,5,7,9,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-amine
Molecular weight350.317
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.3
Synonyms7-(2-Furyl)-2-(4-fluorobenzyl)-2H-1,2,3,4,5a,6,8-heptaaza-as-indacene-5-amine
2-(4-Fluoro-benzyl)-8-furan-2-yl-2H-[1,2,3]triazolo[4,5-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
BDBM50283532
Inchi KeyAOWSAWDSHZRYQP-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H11FN8O/c17-10-5-3-9(4-6-10)8-24-21-12-14(22-24)20-16(18)25-15(12)19-13(23-25)11-2-1-7-26-11/h1-7H,8H2,(H2,18,20,22)
PubChem CID9819786
ChEMBLCHEMBL315562
IUPHARN/A
BindingDB50283532
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki18.3 nM, Bioorg. Med. Chem. Lett., (1994) 4:21:2539BindingDB,ChEMBL

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