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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

NameCHEMBL263038
Molecular formulaC42H39N7O3
IUPAC nameN-[3-[[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]methyl]-4-oxoquinazolin-6-yl]-N-pentyl-4-phenylmethoxybenzamide
Molecular weight689.82
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP7.6
SynonymsBDBM50284668
4-Benzyloxy-N-{3-[2''-(1-methyl-1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-4-oxo-3,4-dihydro-quinazolin-6-yl}-N-pentyl-benzamide
Inchi KeyAUPCNUUWFJWRKW-UHFFFAOYSA-N
Inchi IDInChI=1S/C42H39N7O3/c1-3-4-10-25-49(41(50)33-19-22-35(23-20-33)52-28-31-11-6-5-7-12-31)34-21-24-39-38(26-34)42(51)48(29-43-39)27-30-15-17-32(18-16-30)36-13-8-9-14-37(36)40-44-45-46-47(40)2/h5-9,11-24,26,29H,3-4,10,25,27-28H2,1-2H3
PubChem CID44277872
ChEMBLCHEMBL263038
IUPHARN/A
BindingDB50284668
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
IC508.4 nM, Bioorg. Med. Chem. Lett., (1995) 5:13:1359BindingDB,ChEMBL

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