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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

NameMLS000389682
Molecular formulaC18H15ClN4O3
IUPAC name(4Z)-2-(4-chloro-3-nitrophenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazol-5-one
Molecular weight370.793
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.6
SynonymsAC1M4NHX
SMR000255956
(5Z)-2-(4-chloro-3-nitro-phenyl)-5-[4-(dimethylamino)benzylidene]-2-imidazolin-4-one
4-{[4-(dimethylamino)phenyl]methylene}-2-(4-chloro-3-nitrophenyl)-1,3-diazolin -5-one
HMS2599P13
[ Show all ]
Inchi KeyABMXCSNRCQOXLG-DHDCSXOGSA-N
Inchi IDInChI=1S/C18H15ClN4O3/c1-22(2)13-6-3-11(4-7-13)9-15-18(24)21-17(20-15)12-5-8-14(19)16(10-12)23(25)26/h3-10H,1-2H3,(H,20,21,24)/b15-9-
PubChem CID135433205
ChEMBLCHEMBL1335315
IUPHARN/A
BindingDB67259
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<40000.0 nMPubChem BioAssay data setChEMBL

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