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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

NameCHEMBL30086
Molecular formulaC36H28N8O2
IUPAC nameN-[3-[[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]methyl]-4-oxoquinazolin-6-yl]-N-(pyridin-2-ylmethyl)benzamide
Molecular weight604.674
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.8
SynonymsBDBM50284661
N-{3-[2''-(1-Methyl-1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-4-oxo-3,4-dihydro-quinazolin-6-yl}-N-pyridin-2-ylmethyl-benzamide
Inchi KeyACBOMCMCGRRIIN-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H28N8O2/c1-42-34(39-40-41-42)31-13-6-5-12-30(31)26-16-14-25(15-17-26)22-43-24-38-33-19-18-29(21-32(33)36(43)46)44(23-28-11-7-8-20-37-28)35(45)27-9-3-2-4-10-27/h2-21,24H,22-23H2,1H3
PubChem CID44277574
ChEMBLCHEMBL30086
IUPHARN/A
BindingDB50284661
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC505.09 nMBioorg. Med. Chem. Lett., (1995) 5:13:1359ChEMBL
IC505.1 nMN/ABindingDB

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