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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

NameCHEMBL74476
Molecular formulaC35H43N5O6S
IUPAC namebutyl N-[2-[4-[[2-butyl-6-[[methyl(propan-2-yl)carbamoyl]amino]-4-oxoquinazolin-3-yl]methyl]phenyl]phenyl]sulfonylcarbamate
Molecular weight661.818
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.8
Synonyms2-Butyl-3-(2''-(butyloxycarbonylaminosulphonyl)-biphenyl-4-ylmethyl)-6-(N-isopropyl-N-methyl-aminocarbonylamino)-3H-quinazolin-4-one
BDBM50049181
L-162393
4''-[2-Butyl-6-(3-isopropyl-3-methyl-ureido)-4-oxo-4H-quinazolin-3-ylmethyl]-biphenyl-2-sulfonic acid butyloxycarbonylamide(LP-162,393)
L010012
Inchi KeyAEJPLKVXLXBIJD-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H43N5O6S/c1-6-8-14-32-37-30-20-19-27(36-34(42)39(5)24(3)4)22-29(30)33(41)40(32)23-25-15-17-26(18-16-25)28-12-10-11-13-31(28)47(44,45)38-35(43)46-21-9-7-2/h10-13,15-20,22,24H,6-9,14,21,23H2,1-5H3,(H,36,42)(H,38,43)
PubChem CID9895984
ChEMBLCHEMBL74476
IUPHARN/A
BindingDB50049181
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
IC504.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:19:2337BindingDB,ChEMBL

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