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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

NameCHEMBL259178
Molecular formulaC16H15N5O2
IUPAC name1-[[2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-yl]amino]propan-2-ol
Molecular weight309.329
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.9
SynonymsN/A
Inchi KeyADFYNOLTDCSOFK-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H15N5O2/c1-10(22)9-17-15-16-19-14(13-7-4-8-23-13)20-21(16)12-6-3-2-5-11(12)18-15/h2-8,10,22H,9H2,1H3,(H,17,18)
PubChem CID44452536
ChEMBLCHEMBL259178
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3.981 nMPMID18249548ChEMBL

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