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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

NameCHEMBL26217
Molecular formulaC33H31N7O
IUPAC name6-(benzylamino)-2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
Molecular weight541.659
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.1
SynonymsBDBM50281949
6-Benzylamino-2-butyl-3-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-quinazolin-4-one
Inchi KeyAKALBVAZQOPMNW-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H31N7O/c1-2-3-13-31-35-30-19-18-26(34-21-23-9-5-4-6-10-23)20-29(30)33(41)40(31)22-24-14-16-25(17-15-24)27-11-7-8-12-28(27)32-36-38-39-37-32/h4-12,14-20,34H,2-3,13,21-22H2,1H3,(H,36,37,38,39)
PubChem CID44274692
ChEMBLCHEMBL26217
IUPHARN/A
BindingDB50281949
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
IC501.1 nM, Bioorg. Med. Chem. Lett., (1993) 3:6:1299BindingDB,ChEMBL
IC508.0 nM, Bioorg. Med. Chem. Lett., (1993) 3:6:1299BindingDB,ChEMBL

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