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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

NameCHEMBL113330
Molecular formulaC27H28F3N3O4
IUPAC name2-[4-[[2-butyl-4-oxo-8-(2,2,2-trifluoroacetyl)-1,3,8-triazaspiro[4.5]dec-1-en-3-yl]methyl]phenyl]benzoic acid
Molecular weight515.533
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.4
Synonyms4''-[2-Butyl-4-oxo-8-(2,2,2-trifluoro-acetyl)-1,3,8-triaza-spiro[4.5]dec-1-en-3-ylmethyl]-biphenyl-2-carboxylic acid
BDBM50042231
4'-[[2-Butyl-4-oxo-8-(trifluoroacetyl)-1,3,8-triazaspiro[4.5]dec-1-en-3-yl]methyl]-1,1'-biphenyl-2-carboxylic acid
Inchi KeyBBTJOYSQCCPFSK-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28F3N3O4/c1-2-3-8-22-31-26(13-15-32(16-14-26)25(37)27(28,29)30)24(36)33(22)17-18-9-11-19(12-10-18)20-6-4-5-7-21(20)23(34)35/h4-7,9-12H,2-3,8,13-17H2,1H3,(H,34,35)
PubChem CID44341713
ChEMBLCHEMBL113330
IUPHARN/A
BindingDB50042231
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50140.0 nMPMID8230127BindingDB,ChEMBL

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