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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

NameCHEMBL131209
Molecular formulaC32H36N4O3
IUPAC name2-[4-[[2-butyl-7-(cyclohexylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid
Molecular weight524.665
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP6.7
Synonyms4''-[2-Butyl-7-(3-cyclohexyl-ureido)-benzoimidazol-1-ylmethyl]-biphenyl-2-carboxylic acid
BDBM50043276
SCHEMBL8393841
4'-[[2-Butyl-7-(3-cyclohexylureido)-1H-benzimidazol-1-yl]methyl]-1,1'-biphenyl-2-carboxylic acid
Inchi KeyBLKXPTJWHWQXCM-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H36N4O3/c1-2-3-16-29-34-27-14-9-15-28(35-32(39)33-24-10-5-4-6-11-24)30(27)36(29)21-22-17-19-23(20-18-22)25-12-7-8-13-26(25)31(37)38/h7-9,12-15,17-20,24H,2-6,10-11,16,21H2,1H3,(H,37,38)(H2,33,35,39)
PubChem CID9984310
ChEMBLCHEMBL131209
IUPHARN/A
BindingDB50043276
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
IC50160.0 nMPMID8258826BindingDB,ChEMBL

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