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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

NameCHEMBL273657
Molecular formulaC17H14N4O3
IUPAC name3-(3,4-dimethoxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one
Molecular weight322.324
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50102290
3-(3,4-Dimethoxyphenyl)[1,2,4]triazino[4,3-a]benzimidazole-4(10H)-one
3-(3,4-Dimethoxy-phenyl)-10H-benzo[4,5]imidazo[2,1-c][1,2,4]triazin-4-one
Inchi KeyBXDGXZXUIPMSPG-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H14N4O3/c1-23-13-8-7-10(9-14(13)24-2)15-16(22)21-12-6-4-3-5-11(12)18-17(21)20-19-15/h3-9H,1-2H3,(H,18,20)
PubChem CID10687275
ChEMBLN/A
IUPHARN/A
BindingDB50102290
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1780.0 nMPMID11462973BindingDB

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