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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

NameCHEMBL44268
Molecular formulaC27H30N2O3
IUPAC name2-[4-[(2-butyl-4,4-dicyclopropyl-5-oxoimidazol-1-yl)methyl]phenyl]benzoic acid
Molecular weight430.548
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.7
Synonyms4''-(2-Butyl-4,4-dicyclopropyl-5-oxo-4,5-dihydro-imidazol-1-ylmethyl)-biphenyl-2-carboxylic acid
BDBM50042239
4'-[[(2-Butyl-4,4-dicyclopropyl-5-oxo-4,5-dihydro-1H-imidazol)-1-yl]methyl]-1,1'-biphenyl-2-carboxylic acid
Inchi KeyFQVWHIPNXPBODO-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H30N2O3/c1-2-3-8-24-28-27(20-13-14-20,21-15-16-21)26(32)29(24)17-18-9-11-19(12-10-18)22-6-4-5-7-23(22)25(30)31/h4-7,9-12,20-21H,2-3,8,13-17H2,1H3,(H,30,31)
PubChem CID19422646
ChEMBLCHEMBL44268
IUPHARN/A
BindingDB50042239
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5080.0 nM, PMID8230127, Bioorg. Med. Chem. Lett., (1994) 4:1:163BindingDB,ChEMBL

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