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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

NameMLS001207850
Molecular formulaC14H12ClN3O
IUPAC name4-chloro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide
Molecular weight273.72
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.9
Synonyms4-Chloro-N'-[(E)-1-(2-pyridinyl)ethylidene]benzohydrazide #
BRPAABKVWTVIPX-LICLKQGHSA-N
SMR000513349
4-chloro-N-[1-(2-pyridyl)ethylideneamino]benzamide
cid_571783
[ Show all ]
Inchi KeyBRPAABKVWTVIPX-LICLKQGHSA-N
Inchi IDInChI=1S/C14H12ClN3O/c1-10(13-4-2-3-9-16-13)17-18-14(19)11-5-7-12(15)8-6-11/h2-9H,1H3,(H,18,19)/b17-10+
PubChem CID9590741
ChEMBLCHEMBL3192432
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC502263.0 nMPubChem BioAssay data setChEMBL

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