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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

NameCHEMBL114720
Molecular formulaC32H33N3O4
IUPAC name2-[4-[(8-benzoyl-2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-3-yl)methyl]phenyl]benzoic acid
Molecular weight523.633
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50042264
4'-[(2-Butyl-4-oxo-8-benzoyl-1,3,8-triazaspiro[4.5]dec-1-en-3-yl)methyl]-1,1'-biphenyl-2-carboxylic acid
4''-(8-Benzoyl-2-butyl-4-oxo-1,3,8-triaza-spiro[4.5]dec-1-en-3-ylmethyl)-biphenyl-2-carboxylic acid
Inchi KeyCUECKDQXOVYNLU-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H33N3O4/c1-2-3-13-28-33-32(18-20-34(21-19-32)29(36)25-9-5-4-6-10-25)31(39)35(28)22-23-14-16-24(17-15-23)26-11-7-8-12-27(26)30(37)38/h4-12,14-17H,2-3,13,18-22H2,1H3,(H,37,38)
PubChem CID44341756
ChEMBLCHEMBL114720
IUPHARN/A
BindingDB50042264
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5049.0 nMPMID8230127BindingDB,ChEMBL

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