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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

NameCHEMBL113674
Molecular formulaC24H26N2O3
IUPAC name2-[4-[(6-butyl-8-oxo-5,7-diazaspiro[3.4]oct-5-en-7-yl)methyl]phenyl]benzoic acid
Molecular weight390.483
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.1
Synonyms4''-(6-Butyl-8-oxo-5,7-diaza-spiro[3.4]oct-5-en-7-ylmethyl)-biphenyl-2-carboxylic acid
BDBM50042238
4'-[(6-Butyl-8-oxo-5,7-diazaspiro[3.4]oct-5-en-7-yl)methyl]-1,1'-biphenyl-2-carboxylic acid
Inchi KeyFNLKLBNPUDPIHU-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26N2O3/c1-2-3-9-21-25-24(14-6-15-24)23(29)26(21)16-17-10-12-18(13-11-17)19-7-4-5-8-20(19)22(27)28/h4-5,7-8,10-13H,2-3,6,9,14-16H2,1H3,(H,27,28)
PubChem CID44342047
ChEMBLCHEMBL113674
IUPHARN/A
BindingDB50042238
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5038.0 nMPMID8230127BindingDB,ChEMBL

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