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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

NameCHEMBL63280
Molecular formulaC24H23F3N4O3S
IUPAC nameN-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenoxy]phenyl]-1,1,1-trifluoromethanesulfonamide
Molecular weight504.528
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.6
SynonymsBDBM50282342
N-{2-[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenoxy]-phenyl}-C,C,C-trifluoro-methanesulfonamide
Inchi KeyBMQSDQUNXFHBPJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H23F3N4O3S/c1-4-21-29-22-15(2)13-16(3)28-23(22)31(21)14-17-9-11-18(12-10-17)34-20-8-6-5-7-19(20)30-35(32,33)24(25,26)27/h5-13,30H,4,14H2,1-3H3
PubChem CID44306646
ChEMBLCHEMBL63280
IUPHARN/A
BindingDB50282342
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
IC5051.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:1:207BindingDB,ChEMBL

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