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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

NameCHEMBL87356
Molecular formulaC43H42BrN7O
IUPAC name5-(1-bromobutyl)-2-butyl-4-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
Molecular weight752.761
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP10.6
SynonymsBDBM50283554
5-(1-Bromo-butyl)-2-butyl-4-[2''-(2-trityl-2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one
Inchi KeyFILCPVIRXAZFND-UHFFFAOYSA-N
Inchi IDInChI=1S/C43H42BrN7O/c1-3-5-30-50-42(52)49(41(47-50)39(44)17-4-2)31-32-26-28-33(29-27-32)37-24-15-16-25-38(37)40-45-48-51(46-40)43(34-18-9-6-10-19-34,35-20-11-7-12-21-35)36-22-13-8-14-23-36/h6-16,18-29,39H,3-5,17,30-31H2,1-2H3
PubChem CID44320927
ChEMBLCHEMBL87356
IUPHARN/A
BindingDB50283554
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMBioorg. Med. Chem. Lett., (1994) 4:21:2591, BindingDB,ChEMBL

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