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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

NameCHEMBL282168
Molecular formulaC34H31N7O3
IUPAC nameN-butyl-4-hydroxy-N-[3-[[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]methyl]-4-oxoquinazolin-6-yl]benzamide
Molecular weight585.668
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.2
SynonymsBDBM50284663
N-Butyl-4-hydroxy-N-{3-[2''-(1-methyl-1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-4-oxo-3,4-dihydro-quinazolin-6-yl}-benzamide
Inchi KeyAGAKGDNXFKHLQS-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H31N7O3/c1-3-4-19-41(33(43)25-13-16-27(42)17-14-25)26-15-18-31-30(20-26)34(44)40(22-35-31)21-23-9-11-24(12-10-23)28-7-5-6-8-29(28)32-36-37-38-39(32)2/h5-18,20,22,42H,3-4,19,21H2,1-2H3
PubChem CID44277677
ChEMBLCHEMBL282168
IUPHARN/A
BindingDB50284663
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
IC501.2 nM, Bioorg. Med. Chem. Lett., (1995) 5:13:1359BindingDB,ChEMBL

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