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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

NameCHEMBL80161
Molecular formulaC27H28N8O2S
IUPAC nameethyl 2-[[5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]sulfanyl]acetate
Molecular weight528.635
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.6
SynonymsLS-12555
{5-Methyl-7-propyl-8-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-ylsulfanyl}-acetic acid ethyl ester
BDBM50039363
Inchi KeyBEKNQDBPXBGALH-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28N8O2S/c1-4-8-23-22(26-29-27(32-35(26)17(3)28-23)38-16-24(36)37-5-2)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)25-30-33-34-31-25/h6-7,9-14H,4-5,8,15-16H2,1-3H3,(H,30,31,33,34)
PubChem CID10369660
ChEMBLCHEMBL80161
IUPHARN/A
BindingDB50039363
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
Ki99.0 nMPMID8057285BindingDB,ChEMBL

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