Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0161
Competitor Name
GSK6853
Synonyms
GSK6853; 1910124-24-1; GSK 6853; (R)-N-(1,3-dimethyl-6-(2-methylpiperazin-1-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)-2-methoxybenzamide; CHEMBL3828191; GSK-6853; N-[1,3-Dimethyl-6-[(2r)-2-Methylpiperazin-1-Yl]-2-Oxidanylidene-Benzimidazol-5-Yl]-2-Methoxy-Benzamide; SCHEMBL25445876; BCP18335; EX-A1080; BDBM50189403; MFCD30489734; s8265; AKOS032944954; CCG-268758; CS-5847; N-[1,3-Dimethyl-6-[(2R)-2-methylpiperazin-1-yl]-2-oxobenzimidazol-5-yl]-2-methoxybenzamide; AC-36055; BG166666; BP-25354; BS-16390; N-[2,3-dihydro-1,3-dimethyl-6-[(2R)-2-methyl-1-piperazinyl]-2-oxo-1H-benzimidazol-5-yl]-2-methoxybenzamide; GSK6853, >=98% (HPLC); HY-100220; A901769; Q27462469; LF1; N-{1,3-dimethyl-6-[(2R)-2-methylpiperazin-1-yl]-2-oxo-1,3-benzodiazol-5-yl}-2-methoxybenzamide
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 409.5
Lipid-water partition coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C22H27N5O3
IUPAC Name
N-[1,3-dimethyl-6-[(2R)-2-methylpiperazin-1-yl]-2-oxobenzimidazol-5-yl]-2-methoxybenzamide
Canonical SMILES
CC1CNCCN1C2=CC3=C(C=C2NC(=O)C4=CC=CC=C4OC)N(C(=O)N3C)C
InChI
InChI=1S/C22H27N5O3/c1-14-13-23-9-10-27(14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/m1/s1
InChIKey
FQWDVNSBYDXPIO-CQSZACIVSA-N

The Competitor Interaction Atlas

Probe(s) Related This Competitor

PAL-AfBPP Probe
Click To Hide/Show 1 Probe Related to This Competitor
Probe Name Structure Concentration Cell-system Ref
photo_BS
 Probe Info  		10 uM Human normal cells (HEK-293T) [1]

Target(s) List of this Competitor

1 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Peregrin (BRPF1) LDTP04683 1.60  LDD0414 
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Full Information of The Labelling Profiles of This Competitor

photo_BS
 Probe Info 
Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 10 uM
Quantitative Method SILAC
Competitor Name GSK6853
Competitor Concentration 10 mM
In Vitro Experiment Model Model Type
Living cell
Derived Tissue
Peripheral blood
Disease Model Normal
Model Name Human normal cells (HEK-293T)
Interaction Atlas ID  LDD0414  Download The Altas

References

1 Chemical Proteomic Profiling of Bromodomains Enables the Wide-Spectrum Evaluation of Bromodomain Inhibitors in Living Cells. J Am Chem Soc. 2019 Jul 24;141(29):11497-11505. doi: 10.1021/jacs.9b02738. Epub 2019 Jul 9.