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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

NameCHEMBL24802
Molecular formulaC27H23F3N6O
IUPAC name2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6-(trifluoromethyl)quinazolin-4-one
Molecular weight504.517
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50281942
2-Butyl-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-6-trifluoromethyl-3H-quinazolin-4-one
Inchi KeyBLMRTDYMHKHENU-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H23F3N6O/c1-2-3-8-24-31-23-14-13-19(27(28,29)30)15-22(23)26(37)36(24)16-17-9-11-18(12-10-17)20-6-4-5-7-21(20)25-32-34-35-33-25/h4-7,9-15H,2-3,8,16H2,1H3,(H,32,33,34,35)
PubChem CID44459867
ChEMBLCHEMBL24802
IUPHARN/A
BindingDB50281942
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
IC5012.0 nM, Bioorg. Med. Chem. Lett., (1993) 3:6:1293BindingDB,ChEMBL

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