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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

NameCHEMBL295646
Molecular formulaC26H30N2O3
IUPAC name2-[4-[(8-butyl-10-oxo-7,9-diazaspiro[4.5]dec-7-en-9-yl)methyl]phenyl]benzoic acid
Molecular weight418.537
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50282258
4''-(8-Butyl-6-oxo-7,9-diaza-spiro[4.5]dec-8-en-7-ylmethyl)-biphenyl-2-carboxylic acid
Inchi KeyCRBWYWQPJSJHQB-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30N2O3/c1-2-3-10-23-27-18-26(15-6-7-16-26)25(31)28(23)17-19-11-13-20(14-12-19)21-8-4-5-9-22(21)24(29)30/h4-5,8-9,11-14H,2-3,6-7,10,15-18H2,1H3,(H,29,30)
PubChem CID44289028
ChEMBLCHEMBL295646
IUPHARN/A
BindingDB50282258
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5071.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:1:157BindingDB,ChEMBL

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