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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

NameCHEMBL12810
Molecular formulaC22H28N8
IUPAC name5-[1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole
Molecular weight404.522
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.7
SynonymsSCHEMBL8981008
BDBM50046079
L007195
5-[1-[4-[(3,5-Dibutyl-1H-1,2,4-triazol-1-yl)methyl]phenyl]-1H-pyrrol-2-yl]-1H-tetrazole
Inchi KeyCJPSMBLYVBCGDL-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H28N8/c1-3-5-9-20-23-21(10-6-4-2)30(26-20)16-17-11-13-18(14-12-17)29-15-7-8-19(29)22-24-27-28-25-22/h7-8,11-15H,3-6,9-10,16H2,1-2H3,(H,24,25,27,28)
PubChem CID10408951
ChEMBLCHEMBL12810
IUPHARN/A
BindingDB50046079
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC5033.0 nMPMID8421274BindingDB,ChEMBL

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