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GPCR

NameAdenosine receptor A1
SpeciesHomo sapiens (Human)
GeneADORA1
SynonymRDC7
A1 receptor
A1-AR
A1R
adenosine receptor A1
DiseaseCardiac arrhythmias
Hypertension
Cardiac disease
Cognitive disorders
Diabetes
[ Show all ]
Length326
Amino acid sequenceMPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD
UniProtP30542
Protein Data Bank6d9h, 5n2s
GPCR-HGmod modelP30542
3D structure modelThis structure is from PDB ID 6d9h.
BioLiPBL0385576, BL0417675
Therapeutic Target DatabaseT88714, T92072
ChEMBLCHEMBL226
IUPHAR18
DrugBankBE0000013

Ligand

NameCHEMBL255861
Molecular formulaC20H15ClN4O3S
IUPAC name2-(3-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
Molecular weight426.875
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50237077
2-(3-chlorophenoxy)-N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)acetamide
Inchi KeyAGJUEHKKCLPMSY-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H15ClN4O3S/c1-12-5-6-16(28-12)19-23-15(20-22-7-8-29-20)10-17(25-19)24-18(26)11-27-14-4-2-3-13(21)9-14/h2-10H,11H2,1H3,(H,23,24,25,26)
PubChem CID44448024
ChEMBLCHEMBL255861
IUPHARN/A
BindingDB50237077
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1500.0 nMPMID18329269BindingDB,ChEMBL

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