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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

NameCHEMBL25000
Molecular formulaC28H29N7O
IUPAC name2-butyl-6-(dimethylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
Molecular weight479.588
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM50281955
2-Butyl-6-dimethylamino-3-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-quinazolin-4-one
Inchi KeyDLRKOOXBINYYRU-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H29N7O/c1-4-5-10-26-29-25-16-15-21(34(2)3)17-24(25)28(36)35(26)18-19-11-13-20(14-12-19)22-8-6-7-9-23(22)27-30-32-33-31-27/h6-9,11-17H,4-5,10,18H2,1-3H3,(H,30,31,32,33)
PubChem CID44274671
ChEMBLCHEMBL25000
IUPHARN/A
BindingDB50281955
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC505.0 nM, Bioorg. Med. Chem. Lett., (1993) 3:6:1299BindingDB,ChEMBL

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