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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

Name871266-83-0
Molecular formulaC11H6ClN5O2S
IUPAC name7-chloro-N-(4-nitrophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
Molecular weight307.712
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.7
Synonyms(7-Chlorothiazolo[5,4-d]pyrimidin-2-yl)-(4-nitrophenyl)amine
7-chloro-N-(4-nitrophenyl)thiazolo[5,4-d]pyrimidin-2-amine
7-Chloro-N-(4-nitrophenyl)[1,3]thiazolo[5,4-d]pyrimidin-2-amine
AKOS027378137
BDBM50189060
[ Show all ]
Inchi KeyAGBFROYZKVNMRB-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H6ClN5O2S/c12-9-8-10(14-5-13-9)20-11(16-8)15-6-1-3-7(4-2-6)17(18)19/h1-5H,(H,15,16)
PubChem CID11630922
ChEMBLCHEMBL3828031
IUPHARN/A
BindingDB50189060
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<30000.0 nMPMID27227326BindingDB,ChEMBL

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