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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

NameCHEMBL325445
Molecular formulaC25H28N2O4
IUPAC name2-[4-[(2-butyl-4-oxo-8-oxa-1,3-diazaspiro[4.5]dec-1-en-3-yl)methyl]phenyl]benzoic acid
Molecular weight420.509
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50042248
4'-[[(2-Butyl-4-oxo-1,3-diaza-8-oxaspiro[4.5]dec-1-en)-3-yl]methyl]-1,1'-biphenyl-2-carboxylic acid
4''-(2-Butyl-4-oxo-8-oxa-1,3-diaza-spiro[4.5]dec-1-en-3-ylmethyl)-biphenyl-2-carboxylic acid
Inchi KeyGVGMYCZEPTXGBF-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28N2O4/c1-2-3-8-22-26-25(13-15-31-16-14-25)24(30)27(22)17-18-9-11-19(12-10-18)20-6-4-5-7-21(20)23(28)29/h4-7,9-12H,2-3,8,13-17H2,1H3,(H,28,29)
PubChem CID44341792
ChEMBLCHEMBL325445
IUPHARN/A
BindingDB50042248
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5047.0 nMPMID8230127BindingDB,ChEMBL

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