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GPCR

NameAdenosine receptor A1
SpeciesCavia porcellus (Guinea pig)
GeneADORA1
SynonymN/A
DiseaseN/A for non-human GPCRs
Length326
Amino acid sequenceMPHSVSAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIASLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAAVAIAGCWILSLVVGLTPMFGWNNLSKIEMAWAANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLSKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCHKPTILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPEPPIDEDLPEEKVDD
UniProtP47745
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2304404
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL122703
Molecular formulaC15H17N3O2
IUPAC namemethyl 4-benzyl-2-(dimethylamino)pyrimidine-5-carboxylate
Molecular weight271.32
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.5
SynonymsBDBM50053171
4-Benzyl-2-dimethylamino-pyrimidine-5-carboxylic acid methyl ester
2-(Dimethylamino)-4-benzylpyrimidine-5-carboxylic acid methyl ester
Inchi KeyALGPHWKOWZYGMC-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H17N3O2/c1-18(2)15-16-10-12(14(19)20-3)13(17-15)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
PubChem CID10849731
ChEMBLCHEMBL122703
IUPHARN/A
BindingDB50053171
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5021300.0 nMPMID8809156BindingDB,ChEMBL

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