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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

NameCHEMBL325201
Molecular formulaC27H32N2O3
IUPAC name2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.6]undec-1-en-3-yl)methyl]phenyl]benzoic acid
Molecular weight432.564
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50042266
4'-[(2-Butyl-4-oxo 1,3-diazaspiro[4.6]undec-1-en-3-yl)methyl]-1,1'-biphenyl-2-carboxylic acid
4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.6]undec-1-en-3-ylmethyl)-biphenyl-2-carboxylic acid
Inchi KeyBCYZATPCMXUCDR-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H32N2O3/c1-2-3-12-24-28-27(17-8-4-5-9-18-27)26(32)29(24)19-20-13-15-21(16-14-20)22-10-6-7-11-23(22)25(30)31/h6-7,10-11,13-16H,2-5,8-9,12,17-19H2,1H3,(H,30,31)
PubChem CID44342046
ChEMBLCHEMBL325201
IUPHARN/A
BindingDB50042266
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC508.7 nMPMID8230127BindingDB,ChEMBL

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