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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

NameBDBM50052395
Molecular formulaC14H21NO5
IUPAC name5-O-(2-methoxyethyl) 3-O-methyl 2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarboxylate
Molecular weight283.324
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP0.8
Synonyms2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-(2-methoxy-ethyl) ester 5-methyl ester
Inchi KeyAFLMZANIYHHSAR-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H21NO5/c1-8-11(13(16)19-5)9(2)15-10(3)12(8)14(17)20-7-6-18-4/h8,11H,6-7H2,1-5H3
PubChem CID53640099
ChEMBLN/A
IUPHARN/A
BindingDB50052395
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki49200.0 nMPMID8709132BindingDB

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