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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

NameCHEMBL319971
Molecular formulaC17H14ClN5O2
IUPAC nameN-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]butanamide
Molecular weight355.782
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.2
SynonymsN-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-butyramide
N-[2-(2-Furyl)-9-chloro[1,2,4]triazolo[1,5-c]quinazolin-5-yl]butanamide
SCHEMBL8111292
BDBM50053930
Inchi KeyABTWJNSIYNEABB-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H14ClN5O2/c1-2-4-14(24)20-17-19-12-7-6-10(18)9-11(12)16-21-15(22-23(16)17)13-5-3-8-25-13/h3,5-9H,2,4H2,1H3,(H,19,20,24)
PubChem CID10594397
ChEMBLCHEMBL319971
IUPHARN/A
BindingDB50053930
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki32.5 nMPMID8863790BindingDB,ChEMBL

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