Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0562
Competitor Name
Abegg_cp(-)-11
Structure
2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 332.4
Lipid-water partition coefficient (xlogp) 1.9
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C19H24O5
IUPAC Name
(1S,2S,11S,14S)-2,9-dihydroxy-5,5,11-trimethyl-8-oxotetracyclo[8.5.0.01,14.02,7]pentadeca-6,9-diene-11-carboxylic acid
Canonical SMILES
CC1(CCC2(C(=C1)C(=O)C(=C3C24CC4CCC3(C)C(=O)O)O)O)C
InChI
InChI=1S/C19H24O5/c1-16(2)6-7-19(24)11(9-16)12(20)13(21)14-17(3,15(22)23)5-4-10-8-18(10,14)19/h9-10,21,24H,4-8H2,1-3H3,(H,22,23)/t10-,17-,18-,19+/m0/s1
InChIKey
ZNKDJXXXBLHJPB-ZVQMSZKPSA-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
TFBX
 Probe Info  		100 uM Human endocervical adenocarcinoma cell lysate (HeLa) [1]

Target(s) List of this Competitor

12 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
26S proteasome non-ATPase regulatory subunit 2 (PSMD2) LDTP05782 2.01  LDD0313 
Dihydropteridine reductase (QDPR) LDTP02342 2.03  LDD0313 
Diphosphoinositol polyphosphate phosphohydrolase 3-beta (NUDT11) LDTP10335 2.15  LDD0313 
Dual specificity mitogen-activated protein kinase kinase 3 (MAP2K3) LDTP04103 2.53  LDD0313 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 2.13  LDD0313 
Mitochondrial amidoxime-reducing component 1 (MTARC1) LDTP07214 3.26  LDD0313 
Nicotinate phosphoribosyltransferase (NAPRT) LDTP07750 2.23  LDD0313 
Nuclear pore complex protein Nup98-Nup96 (NUP98) LDTP04547 6.39  LDD0313 
Ribosome biogenesis protein BMS1 homolog (BMS1) LDTP06188 2.92  LDD0313 
Small ribosomal subunit protein uS3 (RPS3) LDTP03223 7.59  LDD0313 
Ubiquitin carboxyl-terminal hydrolase 7 (USP7) LDTP09962 2.79  LDD0313 
Ubiquitin-conjugating enzyme E2 L3 (UBE2L3) LDTP05070 2.13  LDD0313 
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⏷ Show the Full List of 12 Enzyme
3 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Annexin A11 (ANXA11) LDTP04393 4.51  LDD0313 
Exocyst complex component 5 (EXOC5) LDTP00287 3.09  LDD0313 
Sorting nexin-12 (SNX12) LDTP13634 2.03  LDD0313 
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21 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Ankyrin repeat and KH domain-containing protein 1 (ANKHD1) LDTP08573 2.21  LDD0313 
Annexin A7 (ANXA7) LDTP03030 2.19  LDD0313 
Coactosin-like protein (COTL1) LDTP06024 2.74  LDD0313 
Cysteine and glycine-rich protein 1 (CSRP1) LDTP03106 2.18  LDD0313 
General transcription factor 3C polypeptide 2 (GTF3C2) LDTP09565 2.30  LDD0313 
Intermembrane lipid transfer protein VPS13C (VPS13C) LDTP07872 2.68  LDD0313 
Large ribosomal subunit protein uL14 (RPL23) LDTP05008 2.20  LDD0313 
Large ribosomal subunit protein uL2 (RPL8) LDTP05027 2.37  LDD0313 
Multivesicular body subunit 12A (MVB12A) LDTP10284 2.15  LDD0313 
Nucleolar complex protein 2 homolog (NOC2L) LDTP14011 4.82  LDD0313 
Polyadenylate-binding protein 1 (PABPC1) LDTP02595 2.01  LDD0313 
Prelamin-A/C (LMNA) LDTP01932 2.53  LDD0313 
Rab3 GTPase-activating protein catalytic subunit (RAB3GAP1) LDTP06292 2.02  LDD0313 
Rho GTPase-activating protein 17 (ARHGAP17) LDTP07335 2.11  LDD0313 
RNA-binding protein 12 (RBM12) LDTP16096 3.90  LDD0313 
RRP12-like protein (RRP12) LDTP14980 12.94  LDD0313 
Small ribosomal subunit protein eS12 (RPS12) LDTP03321 2.75  LDD0313 
Small ribosomal subunit protein eS4, X isoform (RPS4X) LDTP04997 2.07  LDD0313 
Stress-induced-phosphoprotein 1 (STIP1) LDTP03619 2.21  LDD0313 
Structural maintenance of chromosomes protein 1A (SMC1A) LDTP06181 2.22  LDD0313 
Transducin beta-like protein 2 (TBL2) LDTP16285 3.08  LDD0313 
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⏷ Show the Full List of 21 Other

Full Information of The Labelling Profiles of This Competitor

Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 100 uM
Quantitative Method LFQ
Competitor Name Abegg_cp(-)-11
Competitor Concentration 30 uM
In Vitro Experiment Model Model Type
Cell lysate
Derived Tissue
Cervix uteri
Disease Model Endocervical adenocarcinoma [ICD-11:2C77]
Model Name Human endocervical adenocarcinoma cell lysate (HeLa)
Interaction Atlas ID  LDD0313  Download The Altas

References

1 Chemoproteomic Profiling by Cysteine Fluoroalkylation Reveals Myrocin G as an Inhibitor of the Nonhomologous End Joining DNA Repair Pathway. J Am Chem Soc. 2021 Dec 8;143(48):20332-20342. doi: 10.1021/jacs.1c09724. Epub 2021 Nov 24.
Mass spectrometry data entry: PXD029255