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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

NameCHEMBL48168
Molecular formulaC30H33ClN4O3
IUPAC name2-[2-butyl-5-chloro-3-[[4-[[(2S)-2-(2-methylpyrrol-1-yl)-3-phenylpropanoyl]amino]phenyl]methyl]imidazol-4-yl]acetic acid
Molecular weight533.069
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.9
Synonyms(2-Butyl-5-chloro-3-{4-[2-(2-methyl-pyrrol-1-yl)-3-phenyl-propionylamino]-benzyl}-3H-imidazol-4-yl)-acetic acid
BDBM50047943
1-[4-[[(2S)-2-(2-Methyl-1H-pyrrol-1-yl)-3-phenyl-1-oxopropyl]amino]benzyl]-2-butyl-4-chloro-1H-imidazole-5-acetic acid
Inchi KeyGKSXDFYDFXSKQV-SANMLTNESA-N
Inchi IDInChI=1S/C30H33ClN4O3/c1-3-4-12-27-33-29(31)25(19-28(36)37)35(27)20-23-13-15-24(16-14-23)32-30(38)26(34-17-8-9-21(34)2)18-22-10-6-5-7-11-22/h5-11,13-17,26H,3-4,12,18-20H2,1-2H3,(H,32,38)(H,36,37)/t26-/m0/s1
PubChem CID44294031
ChEMBLCHEMBL48168
IUPHARN/A
BindingDB50047943
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
IC50140.0 nMPMID8510101BindingDB,ChEMBL

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