Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0070
Competitor Name
Cisar_cp37
Structure
2D MOL
Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 489.616
Lipid-water partition coefficient (xlogp) 5.3653
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C29H35N3O4
Canonical SMILES
CCCCn1ccc2cc(C(=O)c3cccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc21
InChI
InChI=1S/C29H35N3O4/c1-5-6-13-30-14-12-21-19-23(10-11-25(21)30)26(33)22-8-7-9-24(20-22)27(34)31-15-17-32(18-16-31)28(35)36-29(2,3)4/h7-12,14,19-20H,5-6,13,15-18H2,1-4H3
InChIKey
ZXMHACMAZLGTCL-UHFFFAOYSA-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
Jackson_1
 Probe Info  		10 uM Human breast adenocarcinoma cells (MDA-MB-231) [1]

Target(s) List of this Competitor

24 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
2,4-dienoyl-CoA reductase [(3E)-enoyl-CoA-producing], mitochondrial (DECR1) LDTP06612 2.83  LDD0120 
Adipocyte plasma membrane-associated protein (APMAP) LDTP12293 2.50  LDD0120 
Complex I assembly factor ACAD9, mitochondrial (ACAD9) LDTP12048 10.39  LDD0120 
DGAT1/2-independent enzyme synthesizing storage lipids (TMEM68) LDTP19892 2.56  LDD0120 
DNA replication licensing factor MCM5 (MCM5) LDTP03681 10.23  LDD0120 
Dynamin-1-like protein (DNM1L) LDTP00273 10.37  LDD0120 
Epimerase family protein SDR39U1 (SDR39U1) LDTP16070 2.28  LDD0120 
Epoxide hydrolase 1 (EPHX1) LDTP02175 2.37  LDD0120 
Glutathione S-transferase Mu 1 (GSTM1) LDTP02350 3.33  LDD0120 
Glutathione S-transferase Mu 4 (GSTM4) LDTP05387 3.67  LDD0120 
Glutathione S-transferase omega-1 (GSTO1) LDTP05128 3.01  LDD0120 
GTP-binding protein Rheb (RHEB) LDTP06371 2.12  LDD0120 
Histone-lysine N-methyltransferase ASH1L (ASH1L) LDTP12475 20.00  LDD0120 
Long-chain fatty acid transport protein 3 (SLC27A3) LDTP07028 2.07  LDD0120 
Mitofusin-2 (MFN2) LDTP01503 20.00  LDD0120 
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1) LDTP01982 2.23  LDD0120 
Nuclear pore complex protein Nup98-Nup96 (NUP98) LDTP04547 10.43  LDD0120 
Pantothenate kinase 1 (PANK1) LDTP09470 20.00  LDD0120 
Peroxisomal multifunctional enzyme type 2 (HSD17B4) LDTP04440 10.51  LDD0120 
Pre-mRNA-splicing factor ATP-dependent RNA helicase DHX16 (DHX16) LDTP00915 20.00  LDD0120 
Saccharopine dehydrogenase-like oxidoreductase (SCCPDH) LDTP15484 5.05  LDD0120 
STE20-like serine/threonine-protein kinase (SLK) LDTP11819 20.00  LDD0120 
Thioredoxin domain-containing protein 12 (TXNDC12) LDTP01707 2.45  LDD0120 
UMP-CMP kinase (CMPK1) LDTP03519 10.56  LDD0120 
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⏷ Show the Full List of 24 Enzyme
13 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
B-cell receptor-associated protein 31 (BCAP31) LDTP04426 10.61  LDD0120 
Clathrin interactor 1 (CLINT1) LDTP06177 2.46  LDD0120 
Importin subunit alpha-5 (KPNA1) LDTP04502 20.00  LDD0120 
Importin subunit alpha-7 (KPNA6) LDTP01031 10.40  LDD0120 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 2.13  LDD0120 
Mitochondrial import inner membrane translocase subunit Tim23 (TIMM23) LDTP00477 20.00  LDD0120 
Mitochondrial import inner membrane translocase subunit Tim23B (TIMM23B) LDTP19379 20.00  LDD0120 
Nuclear cap-binding protein subunit 1 (NCBP1) LDTP05591 2.78  LDD0120 
Sigma intracellular receptor 2 (TMEM97) LDTP06945 2.04  LDD0120 
Sigma non-opioid intracellular receptor 1 (SIGMAR1) LDTP10958 2.46  LDD0120 
Translocator protein (TSPO) LDTP03546 2.15  LDD0120 
Transmembrane protein 205 (TMEM205) LDTP07667 20.00  LDD0120 
Vacuole membrane protein 1 (VMP1) LDTP10343 2.21  LDD0120 
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⏷ Show the Full List of 13 Transporter and channel
8 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Arfaptin-1 (ARFIP1) LDTP04558 4.31  LDD0120 
Cytoplasmic dynein 2 heavy chain 1 (DYNC2H1) LDTP09100 20.00  LDD0120 
GPI transamidase component PIG-S (PIGS) LDTP10799 2.12  LDD0120 
Heme-binding protein 1 (HEBP1) LDTP16078 2.14  LDD0120 
Integrin beta-4 (ITGB4) LDTP02829 10.38  LDD0120 
Lamin-B2 (LMNB2) LDTP05400 2.14  LDD0120 
Large ribosomal subunit protein uL15 (RPL27A) LDTP04105 20.00  LDD0120 
TraB domain-containing protein (TRABD) LDTP19963 2.39  LDD0120 
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⏷ Show the Full List of 8 Other

Full Information of The Labelling Profiles of This Competitor

Jackson_1
 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 Cisar_cp37
Competitor Concentration 50 uM
In Vitro Experiment Model Model Type
Living cell
Derived Tissue
Breast
Disease Model Breast adenocarcinoma [ICD-11:2C60]
Model Name Human breast adenocarcinoma cells (MDA-MB-231)
Interaction Atlas ID  LDD0120  Download The Altas

References

1 Appendage and Scaffold Diverse Fully Functionalized Small-Molecule Probes via a Minimalist Terminal Alkyne-Aliphatic Diazirine Isocyanide. J Org Chem. 2018 Sep 21;83(18):11245-11253. doi: 10.1021/acs.joc.8b01831. Epub 2018 Aug 31.