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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

NameCHEMBL167662
Molecular formulaC35H35N3O4S
IUPAC nameN-[2-[4-[(2-butyl-4-oxo-6-propan-2-ylquinazolin-3-yl)methyl]phenyl]phenyl]sulfonylbenzamide
Molecular weight593.742
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.9
SynonymsBDBM50282445
4''-(2-Butyl-6-isopropyl-4-oxo-4H-quinazolin-3-ylmethyl)-biphenyl-2-sulfonic acid benzoylamide
Inchi KeyASNQSZJOFVXRRJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H35N3O4S/c1-4-5-15-33-36-31-21-20-28(24(2)3)22-30(31)35(40)38(33)23-25-16-18-26(19-17-25)29-13-9-10-14-32(29)43(41,42)37-34(39)27-11-7-6-8-12-27/h6-14,16-22,24H,4-5,15,23H2,1-3H3,(H,37,39)
PubChem CID44379182
ChEMBLCHEMBL167662
IUPHARN/A
BindingDB50282445
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
IC503.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:1:75BindingDB,ChEMBL

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