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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

NameCHEMBL30086
Molecular formulaC36H28N8O2
IUPAC nameN-[3-[[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]methyl]-4-oxoquinazolin-6-yl]-N-(pyridin-2-ylmethyl)benzamide
Molecular weight604.674
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.8
SynonymsBDBM50284661
N-{3-[2''-(1-Methyl-1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-4-oxo-3,4-dihydro-quinazolin-6-yl}-N-pyridin-2-ylmethyl-benzamide
Inchi KeyACBOMCMCGRRIIN-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H28N8O2/c1-42-34(39-40-41-42)31-13-6-5-12-30(31)26-16-14-25(15-17-26)22-43-24-38-33-19-18-29(21-32(33)36(43)46)44(23-28-11-7-8-20-37-28)35(45)27-9-3-2-4-10-27/h2-21,24H,22-23H2,1H3
PubChem CID44277574
ChEMBLCHEMBL30086
IUPHARN/A
BindingDB50284661
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC506.7 nM, Bioorg. Med. Chem. Lett., (1995) 5:13:1359BindingDB,ChEMBL

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