Details of the Probe

General Information of Probe

Probe ID
LDPC0158
Probe Name
SAA-alkyne
Probe Type
ABPP Probe
Structure
2D MOL
Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 531.517
Lipid-water partition coefficient (xlogp) 3.0077
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 7
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C29H25NO9
Canonical SMILES
C#CCNC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O)c1C=Cc1ccc(O)c(O)c1
InChI
InChI=1S/C29H25NO9/c1-2-13-30-29(38)26(16-18-5-10-22(32)25(35)15-18)39-27(36)12-7-19-6-11-23(33)28(37)20(19)8-3-17-4-9-21(31)24(34)14-17/h1,3-12,14-15,26,31-35,37H,13,16H2,(H,30,38)/b8-3+,12-7+/t26-/m1/s1
InChIKey
LOMXEEXEEYFRPD-MBTPIPGZSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

16 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
2-iminobutanoate/2-iminopropanoate deaminase (RIDA) LDTP04529 1.12  LDD0252 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 1.12  LDD0252 
Dihydropteridine reductase (QDPR) LDTP02342 1.11  LDD0252 
ERO1-like protein alpha (ERO1A) LDTP10386 1.08  LDD0252 
Heme oxygenase 2 (HMOX2) LDTP03540 1.08  LDD0252 
Lysosomal alpha-mannosidase (MAN2B1) LDTP00338 1.08  LDD0252 
Lysosomal protective protein (CTSA) LDTP02505 1.15  LDD0252 
NADH dehydrogenase 1 beta subcomplex subunit 4 (NDUFB4) LDTP01514 1.11  LDD0252 
Peroxiredoxin-1 (PRDX1) LDTP05503 1.05  LDD0252 
Peroxiredoxin-2 (PRDX2) LDTP03626 1.07  LDD0252 
Peroxiredoxin-5, mitochondrial (PRDX5) LDTP03512 1.07  LDD0252 
PITH domain-containing protein 1 (PITHD1) LDTP15939 1.09  LDD0252 
Thioredoxin domain-containing protein 12 (TXNDC12) LDTP01707 1.09  LDD0252 
Thioredoxin-dependent peroxide reductase, mitochondrial (PRDX3) LDTP03515 1.07  LDD0252 
Translin (TSN) LDTP06427 1.06  LDD0252 
Ubiquitin carboxyl-terminal hydrolase isozyme L3 (UCHL3) LDTP02783 1.09  LDD0252 
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⏷ Show the Full List of 16 Enzyme
7 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
ATP synthase subunit d, mitochondrial (ATP5PD) LDTP14509 1.07  LDD0252 
CD44 antigen (CD44) LDTP02823 1.12  LDD0252 
Complement component 1 Q subcomponent-binding protein, mitochondrial (C1QBP) LDTP05510 1.07  LDD0252 
Reticulon-1 (RTN1) LDTP06633 1.10  LDD0252 
RNA-binding protein 8A (RBM8A) LDTP14157 1.10  LDD0252 
Secretory carrier-associated membrane protein 1 (SCAMP1) LDTP00546 1.15  LDD0252 
Solute carrier family 2, facilitated glucose transporter member 3 (SLC2A3) LDTP02546 1.09  LDD0252 
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⏷ Show the Full List of 7 Transporter and channel
1 Transcription factor Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Rhox homeobox family member 2 (RHOXF2) LDTP11098 1.12  LDD0252 
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22 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Alpha-2-macroglobulin receptor-associated protein (LRPAP1) LDTP03545 1.27  LDD0252 
BH3-interacting domain death agonist (BID) LDTP04722 1.12  LDD0252 
Calumenin (CALU) LDTP00887 1.09  LDD0252 
CDGSH iron-sulfur domain-containing protein 2 (CISD2) LDTP08902 1.07  LDD0252 
EF-hand domain-containing protein D2 (EFHD2) LDTP15701 1.16  LDD0252 
GrpE protein homolog 1, mitochondrial (GRPEL1) LDTP12144 1.06  LDD0252 
Hippocalcin-like protein 1 (HPCAL1) LDTP03841 1.07  LDD0252 
Integrin beta-2 (ITGB2) LDTP02077 1.10  LDD0252 
Mitochondrial fission 1 protein (FIS1) LDTP13982 1.06  LDD0252 
Myeloid-derived growth factor (MYDGF) LDTP10003 1.17  LDD0252 
Nucleobindin-2 (NUCB2) LDTP05160 1.12  LDD0252 
Perilipin-3 (PLIN3) LDTP01021 1.10  LDD0252 
Prefoldin subunit 2 (PFDN2) LDTP13309 1.10  LDD0252 
Proteasome activator complex subunit 1 (PSME1) LDTP05484 1.12  LDD0252 
Rab GTPase-binding effector protein 1 (RABEP1) LDTP06347 1.11  LDD0252 
Ragulator complex protein LAMTOR3 (LAMTOR3) LDTP13257 1.12  LDD0252 
Regulatory-associated protein of mTOR (RPTOR) LDTP08744 1.10  LDD0252 
Reticulon-4 (RTN4) LDTP12412 1.11  LDD0252 
Stathmin (STMN1) LDTP02869 1.08  LDD0252 
Tumor protein D54 (TPD52L2) LDTP00759 1.18  LDD0252 
UV excision repair protein RAD23 homolog B (RAD23B) LDTP04627 1.14  LDD0252 
Zinc finger protein ZPR1 (ZPR1) LDTP01171 1.11  LDD0252 
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⏷ Show the Full List of 22 Other

Full Information of The Labelling Profiles of This Probe

Quantification: Probe vs DMSO
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
20 uM
Quantitative Method
LFQ
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Bone marrow
Disease Model
Promyelocytic leukemia [ICD-11:2A60]
Model Name
Human promyelocytic leukemia cells (NB-4)
Interaction Atlas ID
 LDD0252 
Download The Altas

References

1 Chemoproteomics and Phosphoproteomics Profiling Reveals Salvianolic Acid A as a Covalent Inhibitor of mTORC1. J Proteome Res. 2023 Jul 7;22(7):2450-2459. doi: 10.1021/acs.jproteome.3c00188. Epub 2023 Jun 22.