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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

NameCHEMBL114368
Molecular formulaC28H34N4O4S
IUPAC name2-[4-[[8-(2-amino-3-sulfanylpropanoyl)-2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-3-yl]methyl]phenyl]benzoic acid
Molecular weight522.664
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP0.4
SynonymsBDBM50042270
4''-[8-(2-Amino-3-mercapto-propionyl)-2-butyl-4-oxo-1,3,8-triaza-spiro[4.5]dec-1-en-3-ylmethyl]-biphenyl-2-carboxylic acid
Inchi KeyBMSHADILJXFXJX-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H34N4O4S/c1-2-3-8-24-30-28(13-15-31(16-14-28)25(33)23(29)18-37)27(36)32(24)17-19-9-11-20(12-10-19)21-6-4-5-7-22(21)26(34)35/h4-7,9-12,23,37H,2-3,8,13-18,29H2,1H3,(H,34,35)
PubChem CID44341585
ChEMBLCHEMBL114368
IUPHARN/A
BindingDB50042270
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50250.0 nMPMID8230127BindingDB,ChEMBL

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