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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

NameCHEMBL94538
Molecular formulaC15H14N4
IUPAC name(7-methyl-2-phenyl-1,8-naphthyridin-4-yl)hydrazine
Molecular weight250.305
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.8
SynonymsBDBM50090698
(7-Methyl-2-phenyl-[1,8]naphthyridin-4-yl)-hydrazine
1-(7-methyl-2-phenyl-1,8-naphthyridin-4-yl)hydrazine
Inchi KeyCWTSAOIACWWXPW-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H14N4/c1-10-7-8-12-14(19-16)9-13(18-15(12)17-10)11-5-3-2-4-6-11/h2-9H,16H2,1H3,(H,17,18,19)
PubChem CID44327984
ChEMBLCHEMBL94538
IUPHARN/A
BindingDB50090698
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID15163184BindingDB,ChEMBL
Ki100.0 nMPMID16279775ChEMBL

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