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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

NameCHEMBL358335
Molecular formulaC24H25ClN6O2
IUPAC name2-butyl-6-chloro-4-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4H-pyrimidine-5-carboxylic acid
Molecular weight464.954
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.0
Synonyms2-Butyl-4-chloro-1,6-dihydro-1-[4-[2-(1H-tetrazol-5-yl)phenyl]benzyl]-6-methylpyrimidine-5-carboxylic acid
BDBM50004154
SCHEMBL9126709
2-Butyl-4-chloro-6-methyl-1-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1,6-dihydro-pyrimidine-5-carboxylic acid
Inchi KeyFFGOUCLZEVSODP-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25ClN6O2/c1-3-4-9-20-26-22(25)21(24(32)33)15(2)31(20)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)23-27-29-30-28-23/h5-8,10-13,15H,3-4,9,14H2,1-2H3,(H,32,33)(H,27,28,29,30)
PubChem CID10322229
ChEMBLCHEMBL358335
IUPHARN/A
BindingDB50004154
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1.0 nMPMID1469703BindingDB,ChEMBL

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