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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

NameCHEMBL2322443
Molecular formulaC31H26FN7O
IUPAC name2-ethyl-5-[(2-fluorophenyl)methyl]-3-[(1S)-5-[2-(2H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]imidazo[4,5-c]pyridin-4-one
Molecular weight531.595
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50426789
Inchi KeyBBYUTVUIMAGYDW-MHZLTWQESA-N
Inchi IDInChI=1S/C31H26FN7O/c1-2-28-33-26-15-16-38(18-21-7-3-6-10-25(21)32)31(40)29(26)39(28)27-14-12-20-17-19(11-13-23(20)27)22-8-4-5-9-24(22)30-34-36-37-35-30/h3-11,13,15-17,27H,2,12,14,18H2,1H3,(H,34,35,36,37)/t27-/m0/s1
PubChem CID71521301
ChEMBLCHEMBL2322443
IUPHARN/A
BindingDB50426789
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
IC5037.7 nMPMID23265881ChEMBL
IC5038.0 nMPMID23265881BindingDB

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