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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

NameCHEMBL139325
Molecular formulaC39H33Cl2N5O5S
IUPAC nameN-[2-[4-[[1-(5-benzamido-2-chlorophenyl)-3-butyl-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2-chlorobenzamide
Molecular weight754.683
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP8.1
SynonymsBDBM50035465
N-(2-Chlorobenzoyl)-4'-[[3-butyl-5-oxo-1-[2-chloro-5-(benzoylamino)phenyl]-1H-1,2,4-triazol-4(5H)-yl]methyl]-1,1'-biphenyl-2-sulfonamide
N-(3-{3-Butyl-4-[2''-(2-chloro-benzoylsulfamoyl)-biphenyl-4-ylmethyl]-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl}-4-chloro-phenyl)-benzamide
SCHEMBL9565975
Inchi KeyBBNLIOWRWDAPAV-UHFFFAOYSA-N
Inchi IDInChI=1S/C39H33Cl2N5O5S/c1-2-3-17-36-43-46(34-24-29(22-23-33(34)41)42-37(47)28-11-5-4-6-12-28)39(49)45(36)25-26-18-20-27(21-19-26)30-13-8-10-16-35(30)52(50,51)44-38(48)31-14-7-9-15-32(31)40/h4-16,18-24H,2-3,17,25H2,1H3,(H,42,47)(H,44,48)
PubChem CID10010311
ChEMBLCHEMBL139325
IUPHARN/A
BindingDB50035465
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
IC500.41 nM, PMID7799397BindingDB
IC500.41 nMMed Chem Res, (2013) None:None:1, PMID7799397ChEMBL

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