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GPCR

NameAdenosine receptor A1
SpeciesBos taurus (Bovine)
GeneADORA1
SynonymN/A
DiseaseN/A for non-human GPCRs
Length326
Amino acid sequenceMPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPRTYFHTCLKVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAVVAITGCWILSFVVGLTPMFGWNNLSAVERDWLANGSVGEPVIECQFEKVISMEYMVYFNFFVWVLPPLLLMVLIYMEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHMPRILIYIAIFLSHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPVDEDAPAERPDD
UniProtP28190
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4975
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL106740
Molecular formulaC16H10ClN3O
IUPAC name2-(4-chlorophenyl)-5H-pyrazolo[3,4-c]quinolin-4-one
Molecular weight295.726
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50091137
2-(4-Chlorophenyl)-2H-pyrazolo[3,4-c]quinoline-4(5H)-one
2-(4-Chloro-phenyl)-2,5-dihydro-pyrazolo[3,4-c]quinolin-4-one
Inchi KeyAXFIIVHPUHXMCS-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-9-13-12-3-1-2-4-14(12)18-16(21)15(13)19-20/h1-9H,(H,18,21)
PubChem CID10517992
ChEMBLCHEMBL106740
IUPHARN/A
BindingDB50091137
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki464.0 nMPMID10956220BindingDB,ChEMBL

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