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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

NameMLS000094900
Molecular formulaC25H26FN5O3S
IUPAC name2-[5-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
Molecular weight495.573
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.0
Synonyms2-[5-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-3-oxidanylidene-2H-imidazo[1,2-c]quinazolin-2-yl]-N-[(4-fluorophenyl)methyl]ethanamide
CHEMBL1544333
SMR000030453
MCULE-4678205154
BDBM76105
[ Show all ]
Inchi KeyBFCBHWDZHDMAAB-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H26FN5O3S/c1-3-15(2)28-22(33)14-35-25-30-19-7-5-4-6-18(19)23-29-20(24(34)31(23)25)12-21(32)27-13-16-8-10-17(26)11-9-16/h4-11,15,20H,3,12-14H2,1-2H3,(H,27,32)(H,28,33)
PubChem CID3245101
ChEMBLCHEMBL1544333
IUPHARN/A
BindingDB76105
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
EC50<100000.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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