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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

NameCHEMBL1171381
Molecular formulaC31H37N5O4
IUPAC name5-methyl-6-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione
Molecular weight543.668
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.4
SynonymsN/A
Inchi KeyAGEXKFKWBVZZBT-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H37N5O4/c1-4-15-35-27-21-26(32(3)29(27)30(38)36(16-5-2)31(35)39)23-11-13-25(14-12-23)40-22-28(37)34-19-17-33(18-20-34)24-9-7-6-8-10-24/h6-14,21H,4-5,15-20,22H2,1-3H3
PubChem CID46837840
ChEMBLCHEMBL1171381
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition22.0 %PMID20371139ChEMBL

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