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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

NameCHEMBL267547
Molecular formulaC20H22ClN3O3
IUPAC name1-[4-[[2-butyl-5-chloro-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]pyrrole-2-carboxylic acid
Molecular weight387.864
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.7
SynonymsSCHEMBL7621589
BDBM50046083
L007338
1-[4-[[2-Butyl-5-chloro-4-(hydroxymethyl)-1H-imidazol-1-yl]methyl]phenyl]-1H-pyrrole-2-carboxylic acid
Inchi KeyDIJMQJXPQOJOMH-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22ClN3O3/c1-2-3-6-18-22-16(13-25)19(21)24(18)12-14-7-9-15(10-8-14)23-11-4-5-17(23)20(26)27/h4-5,7-11,25H,2-3,6,12-13H2,1H3,(H,26,27)
PubChem CID9886554
ChEMBLCHEMBL267547
IUPHARN/A
BindingDB50046083
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501100.0 nMPMID8421274BindingDB,ChEMBL

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