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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

NameCHEMBL130322
Molecular formulaC28H31N3O2
IUPAC name2-[4-[[6-[(dimethylamino)methyl]-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
Molecular weight441.575
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM50043275
4''-(6-Dimethylaminomethyl-4-methyl-2-propyl-benzoimidazol-1-ylmethyl)-biphenyl-2-carboxylic acid
Inchi KeyCAQRHLOFHNXARY-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H31N3O2/c1-5-8-26-29-27-19(2)15-21(17-30(3)4)16-25(27)31(26)18-20-11-13-22(14-12-20)23-9-6-7-10-24(23)28(32)33/h6-7,9-16H,5,8,17-18H2,1-4H3,(H,32,33)
PubChem CID10094859
ChEMBLCHEMBL130322
IUPHARN/A
BindingDB50043275
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50158.0 nMPMID8258826BindingDB,ChEMBL

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