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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

NameCHEMBL436396
Molecular formulaC32H35BrFN5O6S
IUPAC nametert-butyl N-[2-[4-[[1-[2-bromo-5-(propanoylamino)phenyl]-5-oxo-3-propyl-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonylcarbamate
Molecular weight716.623
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.6
SynonymsBDBM50030700
N-{4-Bromo-3-[4-(3-fluoro-2''-(N-t-butyloxycarbonyl)-Sulfanamido-biphenyl-4-ylmethyl)-5-oxo-3-propyl-4,5-dihydro-[1,2,4]triazol-1-yl]-phenyl}-propionamide
Inchi KeyATVSSVJXPQDMPF-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H35BrFN5O6S/c1-6-10-28-36-39(26-18-22(15-16-24(26)33)35-29(40)7-2)31(42)38(28)19-21-14-13-20(17-25(21)34)23-11-8-9-12-27(23)46(43,44)37-30(41)45-32(3,4)5/h8-9,11-18H,6-7,10,19H2,1-5H3,(H,35,40)(H,37,41)
PubChem CID10101351
ChEMBLCHEMBL436396
IUPHARN/A
BindingDB50030700
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
IC500.35 nMPMID7562905BindingDB
IC500.35 nMMed Chem Res, (2012) 21:10:2837, PMID7562905ChEMBL
IC500.3508 nMMed Chem Res, (2012) 21:10:2837ChEMBL

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