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GPCR

NameType-1 angiotensin II receptor
SpeciesBos taurus (Bovine)
GeneAGTR1
SynonymAngiotensin II type-1 receptor
AT1
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMILNSSTEDGIKRIQDDCPKAGRHNYIFIMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPTIIHRNVFFIENTNITVCAFHYESQNSTLPVGLGLTKNILGFLFPFLIILTSYTLIWKTLKKAYEIQKNKPRKDDIFKIILAIVLFFFFSWVPHQIFTFMDVLIQLGLIRDCKIEDIVDTAMPITICLAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSENGNSSTKKPAPCIEVE
UniProtP25104
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3374
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL2058376
Molecular formulaC30H29F3N4O3S
IUPAC name2-[4-[[2-butyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
Molecular weight582.642
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP7.3
SynonymsBDBM50387815
Inchi KeyBZQHFABDJBRUMK-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H29F3N4O3S/c1-4-5-10-28-34-25-16-15-23(30(31,32)33)17-26(25)37(28)18-21-11-13-22(14-12-21)24-8-6-7-9-27(24)41(38,39)36-29-19(2)20(3)35-40-29/h6-9,11-17,36H,4-5,10,18H2,1-3H3
PubChem CID70696781
ChEMBLCHEMBL2058376
IUPHARN/A
BindingDB50387815
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
IC5011.0 nMPMID22750010BindingDB,ChEMBL

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