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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

NameCHEMBL50174
Molecular formulaC25H23N7O
IUPAC name2-ethyl-5-methoxy-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-amine
Molecular weight437.507
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.0
SynonymsBDBM50403231
Inchi KeyAJCLPNCBWWPLCB-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H23N7O/c1-3-22-27-20-9-6-10-21(33-2)23(20)25(28-22)26-15-16-11-13-17(14-12-16)18-7-4-5-8-19(18)24-29-31-32-30-24/h4-14H,3,15H2,1-2H3,(H,26,27,28)(H,29,30,31,32)
PubChem CID44294618
ChEMBLCHEMBL50174
IUPHARN/A
BindingDB50403231
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kd8.51 nMN/ABindingDB
Kd8.511 nMBioorg. Med. Chem. Lett., (1994) 4:1:173ChEMBL

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