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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

NameCHEMBL98678
Molecular formulaC16H11ClN4O2
IUPAC name8-chloro-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
Molecular weight326.74
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50039959
8-Chloro-2-(4-methoxy-phenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
2-(4-Methoxyphenyl)-8-chloro[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one
8-chloro-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one
Inchi KeyCRNSVOSEEIHNQB-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H11ClN4O2/c1-23-11-5-2-9(3-6-11)14-19-15-16(22)18-12-7-4-10(17)8-13(12)21(15)20-14/h2-8H,1H3,(H,18,22)
PubChem CID10449090
ChEMBLCHEMBL98678
IUPHARN/A
BindingDB50039959
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1060.0 nMPMID16335918BindingDB,ChEMBL

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