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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

NameCHEMBL16539
Molecular formulaC16H14N4O
IUPAC name2-(4-methylphenyl)-1,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
Molecular weight278.315
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.0
Synonyms1,2-Dihydro-2-(4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxaline-4(5H)-one
BDBM50086129
2-p-Tolyl-1,2-dihydro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
Inchi KeyAKZYSDGJLBSGHC-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H14N4O/c1-11-6-8-12(9-7-11)20-10-19-14-5-3-2-4-13(14)17-16(21)15(19)18-20/h2-9H,10H2,1H3,(H,17,21)
PubChem CID10778962
ChEMBLCHEMBL16539
IUPHARN/A
BindingDB50086129
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition48.0 %PMID10737748ChEMBL

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