Probe ID	LDPC0201
Probe Name	Alkylaryl probe 3
Probe Type	ABPP Probe
Structure
	2D MOL
Ro5 Violations (Lipinski): 0	Molecular Weight (mw)		231.299
	Lipid-water partition coefficient (xlogp)		0.4455
	Rotatable Bond Count (rotbonds)		7
	Hydrogen Bond Donor Count (hbonddonor)		3
	Hydrogen Bond Acceptor Count (hbondacc)		3
Chemical Identifiers	Formula C13H17N3O Canonical SMILES [H]C#CC([H])([H])C([H])([H])N([H])C(=O)c1c([H])c([H])c(C([H])([H])C([H])([H])N([H])N([H])[H])c([H])c1[H] InChI InChI=1S/C13H17N3O/c1-2-3-9-15-13(17)12-6-4-11(5-7-12)8-10-16-14/h1,4-7,16H,3,8-10,14H2,(H,15,17) InChIKey PFOISSVZTIBCCB-UHFFFAOYSA-N

73 Enzyme Labeled by This Probe Target Name Target ID Binding Site(Ratio) Interaction ID 2-aminoethanethiol dioxygenase (ADO) LDTP10828 20.00  LDD0381  3-ketoacyl-CoA thiolase, peroxisomal (ACAA1) LDTP02329 20.00  LDD0381  4-trimethylaminobutyraldehyde dehydrogenase (ALDH9A1) LDTP04232 7.29  LDD0282  5'-3' exonuclease PLD3 (PLD3) LDTP08476 4.68  LDD0283  5-demethoxyubiquinone hydroxylase, mitochondrial (COQ7) LDTP10984 20.00  LDD0381  Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 15.69  LDD0381  Acid ceramidase (ASAH1) LDTP05905 3.82  LDD0384  Acireductone dioxygenase (ADI1) LDTP11268 20.00  LDD0381  Acyl-CoA (8-3)-desaturase (FADS1) LDTP00968 5.08  LDD0282  Acyl-CoA 6-desaturase (FADS2) LDTP01699 20.00  LDD0282  Aldehyde dehydrogenase 1A1 (ALDH1A1) LDTP01767 20.00  LDD0381  Aldehyde dehydrogenase family 3 member A2 (ALDH3A2) LDTP04437 3.68  LDD0282  Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 5.56  LDD0282  Aldehyde dehydrogenase, mitochondrial (ALDH2) LDTP02074 11.81  LDD0282  Aldo-keto reductase family 1 member B1 (AKR1B1) LDTP02765 7.14  LDD0381  Amine oxidase [flavin-containing] A (MAOA) LDTP03109 20.00  LDD0282  Amine oxidase [flavin-containing] B (MAOB) LDTP03384 20.00  LDD0282  Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 20.00  LDD0384  Biotinidase (BTD) LDTP04030 3.15  LDD0282  Bleomycin hydrolase (BLMH) LDTP05992 7.13  LDD0381  Branched-chain-amino-acid aminotransferase, cytosolic (BCAT1) LDTP04622 3.23  LDD0282  Branched-chain-amino-acid aminotransferase, mitochondrial (BCAT2) LDTP00624 17.57  LDD0282  Carboxymethylenebutenolidase homolog (CMBL) LDTP10215 15.30  LDD0381  Cathepsin B (CTSB) LDTP02223 4.74  LDD0384  Cathepsin D (CTSD) LDTP02198 10.30  LDD0282  Cathepsin S (CTSS) LDTP03329 4.78  LDD0283  Cathepsin Z (CTSZ) LDTP13147 5.98  LDD0283  Cyclin-dependent kinase 11A (CDK11A) LDTP13752 12.36  LDD0382  DBH-like monooxygenase protein 1 (MOXD1) LDTP07662 8.32  LDD0282  Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 4.38  LDD0282  Dipeptidyl peptidase 3 (DPP3) LDTP12803 20.00  LDD0381  Endoribonuclease LACTB2 (LACTB2) LDTP06910 12.75  LDD0381  Eukaryotic translation initiation factor 5B (EIF5B) LDTP01063 7.78  LDD0384  Ferritin heavy chain (FTH1) LDTP01974 5.32  LDD0383  Glutathione S-transferase 3, mitochondrial (MGST3) LDTP00464 20.00  LDD0381  Glutathione S-transferase P (GSTP1) LDTP02333 5.78  LDD0381  Heme oxygenase 2 (HMOX2) LDTP03540 3.32  LDD0282  Holocytochrome c-type synthase (HCCS) LDTP04581 7.93  LDD0282  L-2-hydroxyglutarate dehydrogenase, mitochondrial (L2HGDH) LDTP12105 8.01  LDD0382  Lactoylglutathione lyase (GLO1) LDTP05434 13.53  LDD0381  Lysine-specific histone demethylase 1A (KDM1A) LDTP00957 3.93  LDD0282  Lysosomal protective protein (CTSA) LDTP02505 3.17  LDD0384  Methylcrotonoyl-CoA carboxylase beta chain, mitochondrial (MCCC2) LDTP12227 4.81  LDD0384  Mitochondrial intermediate peptidase (MIPEP) LDTP10981 10.00  LDD0381  Neurolysin, mitochondrial (NLN) LDTP11494 20.00  LDD0381  Nucleoside diphosphate kinase 6 (NME6) LDTP01211 20.00  LDD0384  Oxidized purine nucleoside triphosphate hydrolase (NUDT1) LDTP03816 20.00  LDD0381  Parkinson disease protein 7 (PARK7) LDTP10878 6.18  LDD0381  Phytanoyl-CoA dioxygenase domain-containing protein 1 (PHYHD1) LDTP07065 20.00  LDD0381  Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 7.69  LDD0283  Prolyl 4-hydroxylase subunit alpha-1 (P4HA1) LDTP02679 12.92  LDD0381  Prostaglandin E synthase 2 (PTGES2) LDTP12040 14.64  LDD0282  Protein phosphatase 1G (PPM1G) LDTP00616 20.00  LDD0382  Putative transferase CAF17, mitochondrial (IBA57) LDTP07110 8.31  LDD0381  Retinal dehydrogenase 2 (ALDH1A2) LDTP01419 3.13  LDD0282  Retinaldehyde dehydrogenase 3 (ALDH1A3) LDTP04134 7.47  LDD0282  Ribonucleoside-diphosphate reductase subunit M2 B (RRM2B) LDTP07989 20.00  LDD0381  Ribosyldihydronicotinamide dehydrogenase [quinone] (NQO2) LDTP02824 5.03  LDD0282  Secernin-2 (SCRN2) LDTP15725 20.00  LDD0282  Secernin-3 (SCRN3) LDTP17022 3.12  LDD0382  Serine--tRNA ligase, mitochondrial (SARS2) LDTP12319 20.00  LDD0384  Sialic acid synthase (NANS) LDTP12473 4.64  LDD0282  Stearoyl-CoA desaturase (SCD) LDTP00344 20.00  LDD0282  Sterol carrier protein 2 (SCP2) LDTP03163 20.00  LDD0282  Succinate dehydrogenase flavoprotein subunit, mitochondrial (SDHA) LDTP03572 20.00  LDD0382  Succinate-semialdehyde dehydrogenase, mitochondrial (ALDH5A1) LDTP04438 6.62  LDD0381  Synaptic vesicle membrane protein VAT-1 homolog (VAT1) LDTP10887 20.00  LDD0381  Thioredoxin domain-containing protein 12 (TXNDC12) LDTP01707 11.65  LDD0381  Trifunctional enzyme subunit beta, mitochondrial (HADHB) LDTP04671 3.03  LDD0384  Trimethyllysine dioxygenase, mitochondrial (TMLHE) LDTP12679 15.11  LDD0381  Tripeptidyl-peptidase 1 (TPP1) LDTP00428 5.41  LDD0384  Xaa-Pro aminopeptidase 1 (XPNPEP1) LDTP12444 14.14  LDD0381  Zinc phosphodiesterase ELAC protein 2 (ELAC2) LDTP11054 17.57  LDD0381  ------------------------------------------------------------------------------------ ⏷ Show the Full List of 73 Enzyme
11 Transporter and channel Labeled by This Probe Target Name Target ID Binding Site(Ratio) Interaction ID Amino acid transporter heavy chain SLC3A2 (SLC3A2) LDTP02256 20.00  LDD0381  Cytochrome c (CYCS) LDTP05231 5.72  LDD0381  High affinity cationic amino acid transporter 1 (SLC7A1) LDTP03559 5.65  LDD0381  Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 20.00  LDD0381  Mitochondrial carrier homolog 2 (MTCH2) LDTP14235 6.88  LDD0381  Monocarboxylate transporter 1 (SLC16A1) LDTP04592 3.93  LDD0382  NPC intracellular cholesterol transporter 2 (NPC2) LDTP04940 3.21  LDD0384  Prosaposin (PSAP) LDTP02215 4.04  LDD0384  Solute carrier family 25 member 3 (SLC25A3) LDTP05238 6.74  LDD0381  Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 6.41  LDD0381  Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 7.30  LDD0381  ------------------------------------------------------------------------------------ ⏷ Show the Full List of 11 Transporter and channel
23 Other Labeled by This Probe Target Name Target ID Binding Site(Ratio) Interaction ID 17S U2 SnRNP complex component HTATSF1 (HTATSF1) LDTP00849 20.00  LDD0382  Craniofacial development protein 1 (CFDP1) LDTP16193 20.00  LDD0382  Cytochrome c oxidase copper chaperone (COX17) LDTP06030 3.15  LDD0282  F-box only protein 22 (FBXO22) LDTP09187 20.00  LDD0381  General transcription factor IIF subunit 1 (GTF2F1) LDTP03729 20.00  LDD0382  Glutamine amidotransferase-like class 1 domain-containing protein 3, mitochondrial (GATD3) LDTP16938 7.75  LDD0381  GPALPP motifs-containing protein 1 (GPALPP1) LDTP17638 13.00  LDD0382  Microfibrillar-associated protein 1 (MFAP1) LDTP04668 20.00  LDD0382  Microtubule-associated protein RP/EB family member 1 (MAPRE1) LDTP06444 6.16  LDD0383  Neudesin (NENF) LDTP13630 5.96  LDD0381  NFU1 iron-sulfur cluster scaffold homolog, mitochondrial (NFU1) LDTP13622 5.27  LDD0384  Nucleophosmin (NPM1) LDTP02164 3.36  LDD0384  Probable RNA-binding protein EIF1AD (EIF1AD) LDTP09008 20.00  LDD0382  Protein IWS1 homolog (IWS1) LDTP10822 20.00  LDD0382  Protein pelota homolog (PELO) LDTP11138 7.84  LDD0382  Protein SET (SET) LDTP05277 16.68  LDD0382  RNA polymerase II-associated factor 1 homolog (PAF1) LDTP08965 4.14  LDD0382  RNA polymerase-associated protein CTR9 homolog (CTR9) LDTP07563 3.55  LDD0382  Scaffold attachment factor B2 (SAFB2) LDTP06054 11.59  LDD0384  Small acidic protein (SMAP) LDTP19007 15.68  LDD0382  Transcription elongation factor SPT5 (SUPT5H) LDTP00236 20.00  LDD0382  WD repeat-containing protein 70 (WDR70) LDTP18478 20.00  LDD0382  WW domain-binding protein 11 (WBP11) LDTP13920 20.00  LDD0382  ------------------------------------------------------------------------------------ ⏷ Show the Full List of 23 Other

Competitor ID	Name	Concentration		Cell-system	Ref
LDCM0099	Phenelzine	10 mM		Human normal cells (HEK-293T)	[2]

1	Hydrazines as versatile chemical biology probes and drug-discovery tools for cofactor-dependent enzymes. bioRxiv, 2020-06.
2	Activity-Based Hydrazine Probes for Protein Profiling of Electrophilic Functionality in Therapeutic Targets. ACS Cent Sci. 2021 Sep 22;7(9):1524-1534. doi: 10.1021/acscentsci.1c00616. Epub 2021 Aug 19.