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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

NameBDBM50009714
Molecular formulaC22H25ClN6O
IUPAC name[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydroimidazol-4-yl]methanol
Molecular weight424.933
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.2
Synonyms{2-Butyl-5-chloro-3-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-4,5-dihydro-3H-imidazol-4-yl}-methanol(DuP 753)
Inchi KeyJGABCUJSSAEYFF-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,19,21,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
PubChem CID44330456
ChEMBLN/A
IUPHARN/A
BindingDB50009714
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMN/ABindingDB
IC505.0 nMPMID8510101BindingDB
IC506.7 nMPMID15115399BindingDB
IC508.2 nMN/ABindingDB
IC5014.0 nMPMID8230127BindingDB
IC5019.0 nMPMID8496939, PMID1635064BindingDB
IC5026.0 nMPMID1920360BindingDB
IC5035.0 nMPMID8258826BindingDB
IC5036.0 nMPMID8340920BindingDB
IC5036000.0 nMPMID8421274BindingDB
Ki3.6 nMPMID8057285BindingDB

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