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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

NameCHEMBL94582
Molecular formulaC27H24ClF3N4O4S
IUPAC nameN-[2-[4-[[3-butyl-1-(2-chlorophenyl)-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2,2,2-trifluoroacetamide
Molecular weight593.018
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP6.1
SynonymsBDBM50039891
SCHEMBL9141854
4''-[3-Butyl-1-(2-chloro-phenyl)-5-oxo-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid (2,2,2-trifluoro-acetyl)-amide
ACIJKSZKWJVCPE-UHFFFAOYSA-N
5-n-Butyl-2-(2-chlorophenyl)-2,4-dihydro-4-[[2'-[N-(trifluoroacetyl)sulfamoyl]biphenyl-4-yl]methyl]-3H-1,2,4-triazol-3-one
Inchi KeyACIJKSZKWJVCPE-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H24ClF3N4O4S/c1-2-3-12-24-32-35(22-10-6-5-9-21(22)28)26(37)34(24)17-18-13-15-19(16-14-18)20-8-4-7-11-23(20)40(38,39)33-25(36)27(29,30)31/h4-11,13-16H,2-3,12,17H2,1H3,(H,33,36)
PubChem CID10054188
ChEMBLCHEMBL94582
IUPHARN/A
BindingDB50039891
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
IC501.1 nMPMID8064808BindingDB,ChEMBL

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