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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

NameCHEMBL89246
Molecular formulaC43H43N7O
IUPAC name2,5-dibutyl-4-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
Molecular weight673.865
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP9.9
SynonymsBDBM50283549
2,5-Dibutyl-4-[2''-(2-trityl-2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one
Inchi KeyABSPPPOSOQKHEQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C43H43N7O/c1-3-5-26-40-45-49(31-6-4-2)42(51)48(40)32-33-27-29-34(30-28-33)38-24-16-17-25-39(38)41-44-47-50(46-41)43(35-18-10-7-11-19-35,36-20-12-8-13-21-36)37-22-14-9-15-23-37/h7-25,27-30H,3-6,26,31-32H2,1-2H3
PubChem CID44321405
ChEMBLCHEMBL89246
IUPHARN/A
BindingDB50283549
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 nM, Bioorg. Med. Chem. Lett., (1994) 4:21:2591BindingDB,ChEMBL

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