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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

NameCHEMBL276853
Molecular formulaC36H33N7O2
IUPAC nameN-[2-ethyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]-N-(3-methylbut-2-enyl)benzamide
Molecular weight595.707
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.2
SynonymsBDBM50282706
N-{2-Ethyl-4-oxo-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3,4-dihydro-quinazolin-6-yl}-N-(3-methyl-but-2-enyl)-benzamide
Inchi KeyALZKZYQRFDKNDI-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H33N7O2/c1-4-33-37-32-19-18-28(42(21-20-24(2)3)35(44)27-10-6-5-7-11-27)22-31(32)36(45)43(33)23-25-14-16-26(17-15-25)29-12-8-9-13-30(29)34-38-40-41-39-34/h5-20,22H,4,21,23H2,1-3H3,(H,38,39,40,41)
PubChem CID15780095
ChEMBLCHEMBL276853
IUPHARN/A
BindingDB50282706
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
IC5079.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:12:1479BindingDB,ChEMBL

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