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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

NameCHEMBL306922
Molecular formulaC34H37N7O4
IUPAC name5-[[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
Molecular weight607.715
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.7
Synonyms5-[(Benzyl-tert-butoxycarbonyl-amino)-methyl]-2-propyl-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-imidazole-4-carboxylic acid
BDBM50283186
Inchi KeyANBSWLUPEDDHGK-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H37N7O4/c1-5-11-29-35-28(22-40(33(44)45-34(2,3)4)20-23-12-7-6-8-13-23)30(32(42)43)41(29)21-24-16-18-25(19-17-24)26-14-9-10-15-27(26)31-36-38-39-37-31/h6-10,12-19H,5,11,20-22H2,1-4H3,(H,42,43)(H,36,37,38,39)
PubChem CID44311567
ChEMBLCHEMBL306922
IUPHARN/A
BindingDB50283186
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
IC509.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:18:2229BindingDB,ChEMBL

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