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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

NameCHEMBL290669
Molecular formulaC39H33N7O2
IUPAC nameN-benzyl-N-[4-oxo-2-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]benzamide
Molecular weight631.74
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.8
SynonymsBDBM50282705
N-Benzyl-N-{2-isopropyl-4-oxo-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3,4-dihydro-quinazolin-6-yl}-benzamide
Inchi KeyAXBAKKNMVBYNSI-UHFFFAOYSA-N
Inchi IDInChI=1S/C39H33N7O2/c1-26(2)37-40-35-22-21-31(45(24-27-11-5-3-6-12-27)38(47)30-13-7-4-8-14-30)23-34(35)39(48)46(37)25-28-17-19-29(20-18-28)32-15-9-10-16-33(32)36-41-43-44-42-36/h3-23,26H,24-25H2,1-2H3,(H,41,42,43,44)
PubChem CID15780090
ChEMBLCHEMBL290669
IUPHARN/A
BindingDB50282705
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
IC501200.0 nMBioorg. Med. Chem. Lett., (1994) 4:12:1479, BindingDB,ChEMBL

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