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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

NameCHEMBL308239
Molecular formulaC31H35N7O2
IUPAC name5-butyl-2-(2-phenyl-2-propoxyethyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
Molecular weight537.668
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50044363
5-Butyl-2-(2-phenyl-2-propoxy-ethyl)-4-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one
Inchi KeyBDNZRTTUCHGDRE-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H35N7O2/c1-3-5-15-29-34-38(22-28(40-20-4-2)25-11-7-6-8-12-25)31(39)37(29)21-23-16-18-24(19-17-23)26-13-9-10-14-27(26)30-32-35-36-33-30/h6-14,16-19,28H,3-5,15,20-22H2,1-2H3,(H,32,33,35,36)
PubChem CID14951085
ChEMBLCHEMBL308239
IUPHARN/A
BindingDB50044363
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
IC5045.0 nMPMID8340920BindingDB,ChEMBL

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