Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0155
Competitor Name
UK-5099
Synonyms
56396-35-1; UK-5099; 2-Cyano-3-(1-phenylindol-3-yl)acrylate; UK 5099; 2-Cpiya; (E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid; (E)-2-cyano-3-(1-phenyl-1H-indol-3-yl)acrylic acid; CHEMBL4303684; 2-Cyano-3-(1-phenyl-1H-indol-3-yl)-acrylic acid; 2-Cyano-3-(1-phenyl-1H-indol-3-yl)-2-propenoic acid; UK5099; 2-Cyano-3-(1-phenyl-1H-indol-3-yl)acrylic acid; PF-1005023; CS-1048; 2-cyano-3-(1-phenyl-1H-indol-3-yl)prop-2-enoic acid; alpha-Cyano-beta-(1-phenylindol-3-yl)acrylate; SCHEMBL16620642; GTPL11302; BCPP000027; EX-A1928; BDBM50608638; NSC784390; s5317; AKOS024458020; CCG-267359; NSC-784390; AC-36255; AS-63568; HY-15475; UK-5099, >=98% (HPLC); UK5099; PF-1005023; A12644; alpha-cyano-beta-(1-phenylindol-3-yl)-acrylate; 2-Cyano-3-(1-phenyl-1H-indol-3-yl)acrylicacid; 2260696-90-8; I2R
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 288.3
Lipid-water partition coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C18H12N2O2
IUPAC Name
(E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid
Canonical SMILES
C1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)O
InChI
InChI=1S/C18H12N2O2/c19-11-13(18(21)22)10-14-12-20(15-6-2-1-3-7-15)17-9-5-4-8-16(14)17/h1-10,12H,(H,21,22)/b13-10+
InChIKey
BIZNHCWFGNKBBZ-JLHYYAGUSA-N

The Competitor Interaction Atlas

Probe(s) Related This Competitor

ABPP Probe
Click To Hide/Show 1 Probe Related to This Competitor
Probe Name Structure Concentration Cell-system Ref
YY4-yne
 Probe Info  		10 uM Human normal cells (T cell) [1]

Target(s) List of this Competitor

1 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Mitochondrial pyruvate carrier 2 (MPC2) LDTP01631 10.30  LDD0401 
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Full Information of The Labelling Profiles of This Competitor

YY4-yne
 Probe Info 
Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 10 uM
Quantitative Method LFQ
Competitor Name UK-5099
Competitor Concentration 10 uM
In Vitro Experiment Model Model Type
Living cell
Derived Tissue
Peripheral blood
Disease Model Normal
Model Name Human normal cells (T cell)
Interaction Atlas ID  LDD0401  Download The Altas

References

1 A Chemical Proteomic Probe for the Mitochondrial Pyruvate Carrier Complex. Angew Chem Int Ed Engl. 2020 Mar 2;59(10):3896-3899. doi: 10.1002/anie.201914391. Epub 2020 Feb 11.