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GPCR

NameType-1 angiotensin II receptor
SpeciesOryctolagus cuniculus (Rabbit)
GeneAGTR1
SynonymAngiotensin II type-1 receptor
AT1
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMMLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLAVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSDNVSSSSKKPVPCFEVE
UniProtP34976
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3948
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL293926
Molecular formulaC18H17Br2N3O3
IUPAC name3-[(3,5-dibromo-4-hydroxyphenyl)methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine-5-carboxylic acid
Molecular weight483.16
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50282334
3-(3,5-Dibromo-4-hydroxy-benzyl)-7-methyl-2-propyl-3H-imidazo[4,5-b]pyridine-5-carboxylic acid
Inchi KeyBGISYOOICYUPJS-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H17Br2N3O3/c1-3-4-14-22-15-9(2)5-13(18(25)26)21-17(15)23(14)8-10-6-11(19)16(24)12(20)7-10/h5-7,24H,3-4,8H2,1-2H3,(H,25,26)
PubChem CID44307171
ChEMBLCHEMBL293926
IUPHARN/A
BindingDB50282334
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5011.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:1:207BindingDB,ChEMBL

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