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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

NameSCHEMBL2773794
Molecular formulaC32H25F3N4O4S
IUPAC name3-[2-(4-methylphenyl)ethyl]-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-dione
Molecular weight618.631
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP7.2
SynonymsBDBM99945
US8501750, 59
CHEMBL3640124
Inchi KeyBBWLIANAFFZYLX-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H25F3N4O4S/c1-19-6-8-20(9-7-19)14-15-38-28(40)26-16-23(17-32(33,34)35)44-29(26)39(31(38)42)18-21-10-12-22(13-11-21)24-4-2-3-5-25(24)27-36-30(41)43-37-27/h2-13,16H,14-15,17-18H2,1H3,(H,36,37,41)
PubChem CID136052261
ChEMBLCHEMBL3640124
IUPHARN/A
BindingDB99945
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
IC501.2 nM, NoneBindingDB,ChEMBL

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