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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

NameCHEMBL30015
Molecular formulaC37H29N7O3
IUPAC nameN-[(4-hydroxyphenyl)methyl]-N-[3-[[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]methyl]-4-oxoquinazolin-6-yl]benzamide
Molecular weight619.685
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.5
SynonymsN-(4-Hydroxy-benzyl)-N-{3-[2''-(1-methyl-1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-4-oxo-3,4-dihydro-quinazolin-6-yl}-benzamide
BDBM50284655
Inchi KeyADFOXNCBBGJEFZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C37H29N7O3/c1-42-35(39-40-41-42)32-10-6-5-9-31(32)27-15-11-25(12-16-27)22-43-24-38-34-20-17-29(21-33(34)37(43)47)44(23-26-13-18-30(45)19-14-26)36(46)28-7-3-2-4-8-28/h2-21,24,45H,22-23H2,1H3
PubChem CID44277594
ChEMBLCHEMBL30015
IUPHARN/A
BindingDB50284655
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
IC506.0 nMBioorg. Med. Chem. Lett., (1995) 5:13:1359, BindingDB,ChEMBL

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