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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

NameCHEMBL106040
Molecular formulaC17H13N3O
IUPAC name5-methyl-2-phenylpyrazolo[3,4-c]quinolin-4-one
Molecular weight275.311
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP2.9
Synonyms2-Phenyl-5-methyl-2H-pyrazolo[3,4-c]quinolin-4(5H)-one
BDBM50091134
SCHEMBL5503114
5-Methyl-2-phenyl-2,5-dihydro-pyrazolo[3,4-c]quinolin-4-one
Inchi KeyBWHJBMVFOYHLHQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H13N3O/c1-19-15-10-6-5-9-13(15)14-11-20(18-16(14)17(19)21)12-7-3-2-4-8-12/h2-11H,1H3
PubChem CID10826247
ChEMBLCHEMBL106040
IUPHARN/A
BindingDB50091134
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1230.0 nMPMID10956220BindingDB,ChEMBL

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