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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

NameCHEMBL3310802
Molecular formulaC27H39N5O7
IUPAC name(E)-but-2-enedioic acid;ethyl 4-[[1-(dimethylcarbamoyl)spiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-yl]methyl]piperidine-1-carboxylate
Molecular weight545.637
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogPNone
SynonymsN/A
Inchi KeyPLIHWCCORFZAAL-WLHGVMLRSA-N
Inchi IDInChI=1S/C23H35N5O3.C4H4O4/c1-4-31-22(30)27-12-7-18(8-13-27)16-26-14-9-23(10-15-26)17-28(21(29)25(2)3)20-19(23)6-5-11-24-20;5-3(6)1-2-4(7)8/h5-6,11,18H,4,7-10,12-17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
PubChem CID118706800
ChEMBLCHEMBL3310802
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition15.0 %PMID24856064ChEMBL

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