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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

NameCHEMBL275437
Molecular formulaC29H36N2O3
IUPAC name2-[4-[(2-butyl-4-cyclohexyl-4-ethyl-5-oxoimidazol-1-yl)methyl]phenyl]benzoic acid
Molecular weight460.618
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.5
SynonymsBDBM50282269
4''-(2-Butyl-4-cyclohexyl-4-ethyl-5-oxo-4,5-dihydro-imidazol-1-ylmethyl)-biphenyl-2-carboxylic acid
Inchi KeyBBSMJWBAZLIZEK-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H36N2O3/c1-3-5-15-26-30-29(4-2,23-11-7-6-8-12-23)28(34)31(26)20-21-16-18-22(19-17-21)24-13-9-10-14-25(24)27(32)33/h9-10,13-14,16-19,23H,3-8,11-12,15,20H2,1-2H3,(H,32,33)
PubChem CID19422629
ChEMBLCHEMBL275437
IUPHARN/A
BindingDB50282269
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5052.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:1:163BindingDB,ChEMBL

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