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GPCR

NameType-1 angiotensin II receptor
SpeciesHomo sapiens (Human)
GeneAGTR1
SynonymType-1 angiotensin II receptor
HAT1R
Agtr-1a
type-1A angiotensin II receptor
AT1
[ Show all ]
DiseaseMetabolic syndrome x
Myocardial infarction
Hypertension
Restenosis
Alzheimer disease
[ Show all ]
Length359
Amino acid sequenceMILNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWIPHQIFTFLDVLIQLGIIRDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKRYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSDNVSSSTKKPAPCFEVE
UniProtP30556
Protein Data Bank6do1, 4zud, 4yay
GPCR-HGmod modelP30556
3D structure modelThis structure is from PDB ID 6do1.
BioLiPBL0312790, BL0326733, BL0439004,BL0439005
Therapeutic Target DatabaseT74456
ChEMBLCHEMBL227
IUPHAR34
DrugBankBE0000062

Ligand

NameCHEMBL122157
Molecular formulaC31H33BrFN5O6S
IUPAC nametert-butyl N-[2-[4-[[1-[2-bromo-5-(propanoylamino)phenyl]-3-ethyl-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonylcarbamate
Molecular weight702.596
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.3
SynonymsN-{4-Bromo-3-[3-ethyl-4-(3-fluoro-2''-(N-t-butyloxycarbonyl)-Sulfanamido-biphenyl-4-ylmethyl)-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl]-phenyl}-propionamide
SCHEMBL9120438
BDBM50030723
Inchi KeyARZSHBUQUYOQDP-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H33BrFN5O6S/c1-6-27-35-38(25-17-21(14-15-23(25)32)34-28(39)7-2)30(41)37(27)18-20-13-12-19(16-24(20)33)22-10-8-9-11-26(22)45(42,43)36-29(40)44-31(3,4)5/h8-17H,6-7,18H2,1-5H3,(H,34,39)(H,36,40)
PubChem CID10417321
ChEMBLCHEMBL122157
IUPHARN/A
BindingDB50030723
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
IC500.56 nMPMID7562905BindingDB
IC503.4 nMPMID7562905ChEMBL

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