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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

NameCHEMBL115771
Molecular formulaC28H26N2O3
IUPAC name2-[4-[(2-benzyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzoic acid
Molecular weight438.527
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.7
Synonyms2-Benzyl-3-[(2'-carboxy-1,1'-biphenyl-4-yl)methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
BDBM50042236
4''-(2-Benzyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-ylmethyl)-biphenyl-2-carboxylic acid
Inchi KeyAKPSJDJJPBXDJU-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H26N2O3/c31-26(32)24-11-5-4-10-23(24)22-14-12-21(13-15-22)19-30-25(18-20-8-2-1-3-9-20)29-28(27(30)33)16-6-7-17-28/h1-5,8-15H,6-7,16-19H2,(H,31,32)
PubChem CID44341785
ChEMBLCHEMBL115771
IUPHARN/A
BindingDB50042236
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC502500.0 nMPMID8230127BindingDB,ChEMBL

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