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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

NameSCHEMBL2775820
Molecular formulaC29H28N4O6S
IUPAC name6-ethyl-3-[(4-hydroxyoxan-4-yl)methyl]-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione
Molecular weight560.625
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.8
SynonymsUS8501750, 145
BDBM99969
CHEMBL3640148
6-ethyl-3-[(4-hydroxytetrahydro-2H-pyran-4-yl)methyl]-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
BKKFWGXZFDAGEO-UHFFFAOYSA-N
Inchi KeyBKKFWGXZFDAGEO-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H28N4O6S/c1-2-20-15-23-25(34)33(17-29(37)11-13-38-14-12-29)28(36)32(26(23)40-20)16-18-7-9-19(10-8-18)21-5-3-4-6-22(21)24-30-27(35)39-31-24/h3-10,15,37H,2,11-14,16-17H2,1H3,(H,30,31,35)
PubChem CID136052268
ChEMBLCHEMBL3640148
IUPHARN/A
BindingDB99969
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC501.7 nM, NoneBindingDB,ChEMBL

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