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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

NameCHEMBL29063
Molecular formulaC36H28N8O2
IUPAC nameN-benzyl-N-[3-[[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]methyl]-4-oxoquinazolin-6-yl]pyridine-4-carboxamide
Molecular weight604.674
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.8
SynonymsBDBM50284677
N-Benzyl-N-{3-[2''-(1-methyl-1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-4-oxo-3,4-dihydro-quinazolin-6-yl}-isonicotinamide
Inchi KeyAYTYYLXFFZITOS-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H28N8O2/c1-42-34(39-40-41-42)31-10-6-5-9-30(31)27-13-11-26(12-14-27)22-43-24-38-33-16-15-29(21-32(33)36(43)46)44(23-25-7-3-2-4-8-25)35(45)28-17-19-37-20-18-28/h2-21,24H,22-23H2,1H3
PubChem CID44277439
ChEMBLCHEMBL29063
IUPHARN/A
BindingDB50284677
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC503.4 nM, Bioorg. Med. Chem. Lett., (1995) 5:13:1359BindingDB,ChEMBL

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