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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

NameCHEMBL311386
Molecular formulaC34H40FN5O6S
IUPAC nameN-[2-[4-[[2-ethyl-6-[[methyl(propan-2-yl)carbamoyl]amino]-4-oxoquinazolin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-(2-methylpropoxy)acetamide
Molecular weight665.781
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.5
Synonyms4''-[2-Ethyl-6-(3-isopropyl-3-methyl-ureido)-4-oxo-4H-quinazolin-3-ylmethyl]-3''-fluoro-biphenyl-2-sulfonic acid (2-isobutoxy-acetyl)-amide
BDBM50283307
Inchi KeyBAECZQGANVQWAS-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H40FN5O6S/c1-7-31-37-29-15-14-25(36-34(43)39(6)22(4)5)17-27(29)33(42)40(31)18-24-13-12-23(16-28(24)35)26-10-8-9-11-30(26)47(44,45)38-32(41)20-46-19-21(2)3/h8-17,21-22H,7,18-20H2,1-6H3,(H,36,43)(H,38,41)
PubChem CID44315344
ChEMBLCHEMBL311386
IUPHARN/A
BindingDB50283307
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5065.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:19:2337BindingDB,ChEMBL

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