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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

NameCHEMBL331455
Molecular formulaC33H35F4N5O6S
IUPAC namepropan-2-yl N-[2-[4-[[3-butyl-5-oxo-1-[5-(propanoylamino)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonylcarbamate
Molecular weight705.726
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP6.2
SynonymsBDBM50030725
N-{3-[3-Butyl-4-(3-fluoro-2''-(N-i-propyloxycarbonyl)-Sulfanamido-biphenyl-4-ylmethyl)-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl]-4-trifluoromethyl-phenyl}-propionamide
Inchi KeyFLXDMWLJSWWEJF-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H35F4N5O6S/c1-5-7-12-29-39-42(27-18-23(38-30(43)6-2)15-16-25(27)33(35,36)37)32(45)41(29)19-22-14-13-21(17-26(22)34)24-10-8-9-11-28(24)49(46,47)40-31(44)48-20(3)4/h8-11,13-18,20H,5-7,12,19H2,1-4H3,(H,38,43)(H,40,44)
PubChem CID10009984
ChEMBLCHEMBL331455
IUPHARN/A
BindingDB50030725
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC500.24 nMMed Chem Res, (2012) 21:10:2837, PMID7562905ChEMBL
IC500.24 nMPMID7562905BindingDB
IC500.2404 nMMed Chem Res, (2012) 21:10:2837ChEMBL

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