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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

NameCHEMBL29209
Molecular formulaC11H14N4O4
IUPAC name2-(1-methyl-2,6-dioxo-3-propylpurin-7-yl)acetic acid
Molecular weight266.257
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP0.1
SynonymsBDBM50047256
SCHEMBL10178116
(1-Methyl-2,6-dioxo-3-propyl-1,2,3,6-tetrahydro-purin-7-yl)-acetic acid
[(1-Methyl-3-propyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin)-7-yl]acetic acid
Inchi KeyBWFPSXHKZDKRAO-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H14N4O4/c1-3-4-15-9-8(10(18)13(2)11(15)19)14(6-12-9)5-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)
PubChem CID10084247
ChEMBLCHEMBL29209
IUPHARN/A
BindingDB50047256
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<200000.0 nMPMID8496906BindingDB,ChEMBL

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