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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

NameCHEMBL140619
Molecular formulaC37H38ClN5O5S
IUPAC nameN-[2-[4-[[3-butyl-5-oxo-1-[3-(pentanoylamino)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2-chlorobenzamide
Molecular weight700.251
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP7.2
SynonymsBJEMGANDAVKDDB-UHFFFAOYSA-N
Pentanoic acid (3-{3-butyl-4-[2''-(2-chloro-benzoylsulfamoyl)-biphenyl-4-ylmethyl]-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl}-phenyl)-amide
SCHEMBL9141159
BDBM50035433
5-n-Butyl-4-[[2'-[N-(2-chlorobenzoyl)sulfamoyl]biphenyl-4-yl]methyl]-2,4-dihydro-2-[3-(valerylamino)phenyl]-3H-1,2,4-triazol-3-one
Inchi KeyBJEMGANDAVKDDB-UHFFFAOYSA-N
Inchi IDInChI=1S/C37H38ClN5O5S/c1-3-5-18-34-40-43(29-13-11-12-28(24-29)39-35(44)19-6-4-2)37(46)42(34)25-26-20-22-27(23-21-26)30-14-8-10-17-33(30)49(47,48)41-36(45)31-15-7-9-16-32(31)38/h7-17,20-24H,3-6,18-19,25H2,1-2H3,(H,39,44)(H,41,45)
PubChem CID10484866
ChEMBLCHEMBL140619
IUPHARN/A
BindingDB50035433
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
IC500.9 nM, PMID7799397BindingDB
IC500.9 nMMed Chem Res, (2013) None:None:1, PMID7799397ChEMBL

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