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GPCR

NameType-1 angiotensin II receptor
SpeciesOryctolagus cuniculus (Rabbit)
GeneAGTR1
SynonymAngiotensin II type-1 receptor
AT1
DiseaseN/A for non-human GPCRs
Length359
Amino acid sequenceMMLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLAVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSDNVSSSSKKPVPCFEVE
UniProtP34976
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3948
IUPHARN/A
DrugBankN/A

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
SynonymsL010012
2-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)
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
IC500.24 nMPMID8576904, Bioorg. Med. Chem. Lett., (1994) 4:19:2337, Bioorg. Med. Chem. Lett., (1994) 4:1:81ChEMBL
IC500.24 nM, PMID8576904BindingDB

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