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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

NameCHEMBL434640
Molecular formulaC30H31N3O3
IUPAC name2-[4-[[2-butyl-6-(2-oxopiperidin-1-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid
Molecular weight481.596
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.7
Synonyms4'-[[6-(2-Oxopiperidino)-2-butyl-1H-benzimidazol-1-yl]methyl]-1,1'-biphenyl-2-carboxylic acid
4''-[2-Butyl-6-(2-oxo-piperidin-1-yl)-benzoimidazol-1-ylmethyl]-biphenyl-2-carboxylic acid
BDBM50043270
Inchi KeyDEOYQCOERZZPQC-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H31N3O3/c1-2-3-10-28-31-26-17-16-23(32-18-7-6-11-29(32)34)19-27(26)33(28)20-21-12-14-22(15-13-21)24-8-4-5-9-25(24)30(35)36/h4-5,8-9,12-17,19H,2-3,6-7,10-11,18,20H2,1H3,(H,35,36)
PubChem CID11754954
ChEMBLCHEMBL434640
IUPHARN/A
BindingDB50043270
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5081.0 nMPMID8258826BindingDB,ChEMBL

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