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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

NameCHEMBL320283
Molecular formulaC24H18N4O
IUPAC name2-phenyl-N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide
Molecular weight378.435
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.6
SynonymsN-(2-Phenyl-2H-pyrazolo[3,4-c]quinoline-4-yl)-2-phenylacetamide
2-phenyl-N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)acetamide
2-Phenyl-N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)-acetamide
BDBM50091136
Inchi KeyCDNARFKYCLHRDR-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H18N4O/c29-22(15-17-9-3-1-4-10-17)26-24-23-20(19-13-7-8-14-21(19)25-24)16-28(27-23)18-11-5-2-6-12-18/h1-14,16H,15H2,(H,25,26,29)
PubChem CID10762204
ChEMBLCHEMBL320283
IUPHARN/A
BindingDB50091136
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity5.0 %PMID17665891ChEMBL

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