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GPCR

NameType-1B angiotensin II receptor
SpeciesRattus norvegicus (Rat)
GeneAgtr1b
SynonymAngiotensin II type-1B receptor
AT1B
AT3
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMTLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNHLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLMAGLASLPAVIYRNVYFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFVFPFLIILTSYTLIWKALKKAYKIQKNTPRNDDIFRIIMAIVLFFFFSWVPHQIFTFLDVLIQLGIIRDCEIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPTAKSHAGLSTKMSTLSYRPSDNMSSSAKKSASFFEVE
UniProtP29089
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL263
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL76421
Molecular formulaC24H24N8O
IUPAC name2,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
Molecular weight440.511
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.2
SynonymsLS-156794
2,5-Dimethyl-7-propyl-8-[[2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]-1,2,4-triazolo[4,3-c]pyrimidin-3(2H)-one
2,5-Dimethyl-7-propyl-8-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
BDBM50039361
Inchi KeyCJCGCOGXWYIGGD-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H24N8O/c1-4-7-21-20(23-28-31(3)24(33)32(23)15(2)25-21)14-16-10-12-17(13-11-16)18-8-5-6-9-19(18)22-26-29-30-27-22/h5-6,8-13H,4,7,14H2,1-3H3,(H,26,27,29,30)
PubChem CID10410991
ChEMBLCHEMBL76421
IUPHARN/A
BindingDB50039361
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki53.0 nMPMID8057285BindingDB,ChEMBL

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