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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

NameCHEMBL105525
Molecular formulaC20H25ClN6O
IUPAC name[2-butyl-5-chloro-1-[[6-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]imidazol-4-yl]methanol
Molecular weight400.911
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.4
SynonymsBDBM50010145
{2-Butyl-5-chloro-1-[6-(1H-tetrazol-5-yl)-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl]-1H-imidazol-4-yl}-methanol
Inchi KeyDVNAVSCQIRADLN-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H25ClN6O/c1-2-3-4-18-22-17(12-28)19(21)27(18)11-13-5-6-15-10-16(8-7-14(15)9-13)20-23-25-26-24-20/h5-6,9,16,28H,2-4,7-8,10-12H2,1H3,(H,23,24,25,26)
PubChem CID15699069
ChEMBLCHEMBL105525
IUPHARN/A
BindingDB50010145
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501400.0 nMPMID1920360BindingDB,ChEMBL

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