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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

NameCHEMBL3735236
Molecular formulaC37H45N7O4S
IUPAC name3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-7-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-propylbenzimidazole-5-carboxamide
Molecular weight683.872
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP5.4
SynonymsN/A
Inchi KeyAYBOXDRWQNSUGF-UHFFFAOYSA-N
Inchi IDInChI=1S/C37H45N7O4S/c1-6-9-34-39-35-25(2)22-30(36(45)38-16-17-43-20-18-42(5)19-21-43)23-32(35)44(34)24-28-12-14-29(15-13-28)31-10-7-8-11-33(31)49(46,47)41-37-26(3)27(4)40-48-37/h7-8,10-15,22-23,41H,6,9,16-21,24H2,1-5H3,(H,38,45)
PubChem CID127035067
ChEMBLCHEMBL3735236
IUPHARN/A
BindingDBN/A
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
IC5047.0 nMMedChemComm, (2015) 6:4:715ChEMBL

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