Probe ID	LDPC0203
Probe Name	Alkylaryl probe 2
Synonyms	SCHEMBL21084296
Probe Type	ABPP Probe
Structure
	3D MOL			2D MOL
Ro5 Violations (Lipinski): 0	Molecular Weight (mw)		203.24
	Lipid-water partition coefficient (xlogp)		1
	Rotatable Bond Count (rotbonds)		4
	Hydrogen Bond Donor Count (hbonddonor)		3
	Hydrogen Bond Acceptor Count (hbondacc)		3
Chemical Identifiers	Formula C11H13N3O IUPAC Name N-but-3-ynyl-4-hydrazinylbenzamide Canonical SMILES C#CCCNC(=O)C1=CC=C(C=C1)NN InChI InChI=1S/C11H13N3O/c1-2-3-8-13-11(15)9-4-6-10(14-12)7-5-9/h1,4-7,14H,3,8,12H2,(H,13,15) InChIKey YMXFNYQGDWBRIR-UHFFFAOYSA-N

107 Enzyme Labeled by This Probe Target Name Target ID Binding Site(Ratio) Interaction ID 3-ketoacyl-CoA thiolase, peroxisomal (ACAA1) LDTP02329 6.00  LDD0391  5'-3' exonuclease PLD3 (PLD3) LDTP08476 5.00  LDD0389  5'-nucleotidase domain-containing protein 2 (NT5DC2) LDTP18414 16.00  LDD0389  Acid ceramidase (ASAH1) LDTP05905 20.00  LDD0391  Acyl-CoA (8-3)-desaturase (FADS1) LDTP00968 20.00  LDD0389  Acyl-CoA 6-desaturase (FADS2) LDTP01699 20.00  LDD0389  Acyl-coenzyme A thioesterase 9, mitochondrial (ACOT9) LDTP16274 3.00  LDD0392  Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 11.00  LDD0389  Aldehyde dehydrogenase, mitochondrial (ALDH2) LDTP02074 11.00  LDD0389  Alpha-ketoglutarate-dependent dioxygenase FTO (FTO) LDTP11595 13.00  LDD0389  Alpha-N-acetylgalactosaminidase (NAGA) LDTP02883 17.00  LDD0391  Aspartate aminotransferase, cytoplasmic (GOT1) LDTP02888 3.00  LDD0390  Beta-galactosidase (GLB1) LDTP02837 6.00  LDD0391  Beta-glucuronidase (GUSB) LDTP02260 3.00  LDD0392  Beta-hexosaminidase subunit beta (HEXB) LDTP02216 11.00  LDD0391  Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6 (JMJD6) LDTP07492 3.00  LDD0390  Branched-chain-amino-acid aminotransferase, cytosolic (BCAT1) LDTP04622 20.00  LDD0391  Branched-chain-amino-acid aminotransferase, mitochondrial (BCAT2) LDTP00624 15.00  LDD0391  BRCA1-associated protein (BRAP) LDTP08084 11.00  LDD0390  Carboxymethylenebutenolidase homolog (CMBL) LDTP10215 18.00  LDD0389  Carboxypeptidase D (CPD) LDTP01372 20.00  LDD0391  Catalase (CAT) LDTP02001 20.00  LDD0391  Cathepsin B (CTSB) LDTP02223 14.00  LDD0391  Cathepsin D (CTSD) LDTP02198 16.00  LDD0391  Cathepsin S (CTSS) LDTP03329 18.00  LDD0391  Cathepsin Z (CTSZ) LDTP13147 19.00  LDD0391  Cytochrome b5 type B (CYB5B) LDTP00697 3.00  LDD0392  Cytosol aminopeptidase (LAP3) LDTP03455 5.00  LDD0391  DBH-like monooxygenase protein 1 (MOXD1) LDTP07662 3.00  LDD0390  Deoxyhypusine hydroxylase (DOHH) LDTP11225 3.00  LDD0392  Dipeptidyl peptidase 1 (CTSC) LDTP04572 3.00  LDD0390  Dipeptidyl peptidase 3 (DPP3) LDTP12803 5.00  LDD0389  DNA oxidative demethylase ALKBH2 (ALKBH2) LDTP07457 20.00  LDD0390  Elongator complex protein 3 (ELP3) LDTP12110 3.00  LDD0390  Endoplasmic reticulum aminopeptidase 1 (ERAP1) LDTP12868 8.00  LDD0391  Endothelin-converting enzyme 1 (ECE1) LDTP04008 4.00  LDD0392  FAST kinase domain-containing protein 5, mitochondrial (FASTKD5) LDTP07979 10.00  LDD0389  Ferritin heavy chain (FTH1) LDTP01974 20.00  LDD0391  Ferrochelatase, mitochondrial (FECH) LDTP03198 4.00  LDD0390  Fructose-bisphosphate aldolase A (ALDOA) LDTP02008 12.00  LDD0389  Fructose-bisphosphate aldolase C (ALDOC) LDTP02386 14.00  LDD0389  Glutaredoxin-3 (GLRX3) LDTP01374 3.00  LDD0392  Glycerol-3-phosphate phosphatase (PGP) LDTP00089 3.00  LDD0390  Haloacid dehalogenase-like hydrolase domain-containing 5 (HDHD5) LDTP18330 4.00  LDD0392  Heme oxygenase 2 (HMOX2) LDTP03540 20.00  LDD0389  Histone lysine demethylase PHF8 (PHF8) LDTP13703 20.00  LDD0389  Lactoylglutathione lyase (GLO1) LDTP05434 5.00  LDD0391  Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 14.00  LDD0389  Legumain (LGMN) LDTP10888 3.00  LDD0390  Lysine-specific demethylase 5C (KDM5C) LDTP03939 19.00  LDD0389  Lysine-specific demethylase 5D (KDM5D) LDTP11440 3.00  LDD0390  Lysine-specific histone demethylase 1A (KDM1A) LDTP00957 20.00  LDD0389  Lysine-specific histone demethylase 2 (KDM1B) LDTP09043 17.00  LDD0389  Lysosomal acid glucosylceramidase (GBA1) LDTP02005 20.00  LDD0391  Lysosomal acid lipase/cholesteryl ester hydrolase (LIPA) LDTP03858 17.00  LDD0391  Lysosomal alpha-glucosidase (GAA) LDTP02486 20.00  LDD0391  Lysosomal alpha-mannosidase (MAN2B1) LDTP00338 20.00  LDD0391  Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 15.00  LDD0391  Lysosomal protective protein (CTSA) LDTP02505 9.00  LDD0391  Matrix metalloproteinase-14 (MMP14) LDTP04352 10.00  LDD0391  Methanethiol oxidase (SELENBP1) LDTP05793 3.00  LDD0390  Minor histocompatibility antigen H13 (HM13) LDTP09396 3.00  LDD0392  Mitochondrial intermediate peptidase (MIPEP) LDTP10981 3.00  LDD0392  Multifunctional procollagen lysine hydroxylase and glycosyltransferase LH3 (PLOD3) LDTP01005 20.00  LDD0389  N-acetyl-D-glucosamine kinase (NAGK) LDTP13372 20.00  LDD0391  N-acetylglucosamine-6-sulfatase (GNS) LDTP02799 7.00  LDD0391  Neurolysin, mitochondrial (NLN) LDTP11494 11.00  LDD0392  Nucleic acid dioxygenase ALKBH1 (ALKBH1) LDTP05967 20.00  LDD0389  Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 20.00  LDD0391  Peroxidasin homolog (PXDN) LDTP09829 20.00  LDD0391  Peroxisomal acyl-coenzyme A oxidase 1 (ACOX1) LDTP06307 19.00  LDD0389  Peroxisomal acyl-coenzyme A oxidase 3 (ACOX3) LDTP00589 20.00  LDD0391  Phytanoyl-CoA dioxygenase domain-containing protein 1 (PHYHD1) LDTP07065 3.00  LDD0390  Pirin (PIR) LDTP00325 4.00  LDD0390  Probable arginine--tRNA ligase, mitochondrial (RARS2) LDTP07092 3.00  LDD0390  Procollagen-lysine,2-oxoglutarate 5-dioxygenase 1 (PLOD1) LDTP05373 3.00  LDD0390  Procollagen-lysine,2-oxoglutarate 5-dioxygenase 2 (PLOD2) LDTP00285 3.00  LDD0390  Prolyl 3-hydroxylase 1 (P3H1) LDTP06750 8.00  LDD0391  Prolyl 4-hydroxylase subunit alpha-1 (P4HA1) LDTP02679 3.00  LDD0390  Prolyl 4-hydroxylase subunit alpha-2 (P4HA2) LDTP00645 3.00  LDD0390  Prostaglandin reductase 2 (PTGR2) LDTP08979 15.00  LDD0391  Putative phospholipase B-like 2 (PLBD2) LDTP09256 9.00  LDD0391  Putative transferase CAF17, mitochondrial (IBA57) LDTP07110 9.00  LDD0389  Pyridine nucleotide-disulfide oxidoreductase domain-containing protein 2 (PYROXD2) LDTP15408 20.00  LDD0391  Ras-related protein Rab-11B (RAB11B) LDTP06501 4.00  LDD0392  Ras-related protein Rab-13 (RAB13) LDTP04401 3.00  LDD0390  Ras-related protein Rab-14 (RAB14) LDTP04901 5.00  LDD0391  Ras-related protein Rab-5B (RAB5B) LDTP04893 3.00  LDD0392  Ras-related protein Rab-5C (RAB5C) LDTP04398 3.00  LDD0392  Retinaldehyde dehydrogenase 3 (ALDH1A3) LDTP04134 4.00  LDD0392  Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 3.00  LDD0390  Ribonucleoside-diphosphate reductase subunit M2 (RRM2) LDTP03592 13.00  LDD0389  Ribonucleoside-diphosphate reductase subunit M2 B (RRM2B) LDTP07989 7.00  LDD0391  Ribosomal oxygenase 2 (RIOX2) LDTP08451 8.00  LDD0389  S-adenosylmethionine decarboxylase proenzyme (AMD1) LDTP02918 20.00  LDD0389  Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 (ATP2A2) LDTP02860 3.00  LDD0390  Secernin-2 (SCRN2) LDTP15725 20.00  LDD0389  Secernin-3 (SCRN3) LDTP17022 15.00  LDD0389  Sialidase-1 (NEU1) LDTP10884 5.00  LDD0391  Sodium/potassium-transporting ATPase subunit alpha-1 (ATP1A1) LDTP02067 3.00  LDD0390  Sphingolipid delta(4)-desaturase DES1 (DEGS1) LDTP00544 5.00  LDD0390  Stearoyl-CoA desaturase (SCD) LDTP00344 20.00  LDD0389  Sterol 26-hydroxylase, mitochondrial (CYP27A1) LDTP05348 20.00  LDD0391  Thioredoxin-related transmembrane protein 1 (TMX1) LDTP11874 3.00  LDD0390  Tripeptidyl-peptidase 1 (TPP1) LDTP00428 18.00  LDD0391  Very long-chain specific acyl-CoA dehydrogenase, mitochondrial (ACADVL) LDTP04289 5.00  LDD0391  Xaa-Pro aminopeptidase 3 (XPNPEP3) LDTP12420 20.00  LDD0389  ------------------------------------------------------------------------------------ ⏷ Show the Full List of 107 Enzyme
8 Transporter and channel Labeled by This Probe Target Name Target ID Binding Site(Ratio) Interaction ID Amino acid transporter heavy chain SLC3A2 (SLC3A2) LDTP02256 3.00  LDD0390  Cytochrome c (CYCS) LDTP05231 7.00  LDD0389  Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 4.00  LDD0392  NPC intracellular cholesterol transporter 2 (NPC2) LDTP04940 4.00  LDD0392  Prosaposin (PSAP) LDTP02215 5.00  LDD0391  Syntenin-1 (SDCBP) LDTP00310 3.00  LDD0392  Transferrin receptor protein 1 (TFRC) LDTP01969 3.00  LDD0390  Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 3.00  LDD0390  ------------------------------------------------------------------------------------ ⏷ Show the Full List of 8 Transporter and channel
1 Transcription factor Labeled by This Probe Target Name Target ID Binding Site(Ratio) Interaction ID SWI/SNF complex subunit SMARCC1 (SMARCC1) LDTP09932 5.00  LDD0389  ------------------------------------------------------------------------------------
1 Immunoglobulin Labeled by This Probe Target Name Target ID Binding Site(Ratio) Interaction ID HLA class I histocompatibility antigen, B alpha chain (HLA-B) LDTP01913 3.00  LDD0392  ------------------------------------------------------------------------------------
18 Other Labeled by This Probe Target Name Target ID Binding Site(Ratio) Interaction ID Amyloid beta precursor like protein 2 (APLP2) LDTP05491 20.00  LDD0391  Centromere/kinetochore protein zw10 homolog (ZW10) LDTP00720 7.00  LDD0391  Density-regulated protein (DENR) LDTP00808 20.00  LDD0391  Eukaryotic translation initiation factor 3 subunit K (EIF3K) LDTP13143 11.00  LDD0392  Ferritin light chain (FTL) LDTP01973 7.00  LDD0391  Galectin-3-binding protein (LGALS3BP) LDTP05558 7.00  LDD0391  Golgin subfamily B member 1 (GOLGB1) LDTP06210 11.00  LDD0392  Kelch-like ECH-associated protein 1 (KEAP1) LDTP06051 12.00  LDD0391  Mammalian ependymin-related protein 1 (EPDR1) LDTP13606 20.00  LDD0391  Plasminogen activator inhibitor 1 (SERPINE1) LDTP02085 20.00  LDD0391  Protein canopy homolog 3 (CNPY3) LDTP11176 5.00  LDD0392  Protein PRRC2C (PRRC2C) LDTP14085 5.00  LDD0389  Receptor expression-enhancing protein 5 (REEP5) LDTP05257 3.00  LDD0392  Reticulon-4 (RTN4) LDTP12412 11.00  LDD0390  Small ribosomal subunit protein mS35 (MRPS35) LDTP14788 20.00  LDD0392  Spectrin beta chain, non-erythrocytic 2 (SPTBN2) LDTP00510 3.00  LDD0390  Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 14.00  LDD0389  Zinc finger protein 318 (ZNF318) LDTP07223 3.00  LDD0390  ------------------------------------------------------------------------------------ ⏷ Show the Full List of 18 Other

Competitor ID	Name	Concentration		Cell-system	Ref
LDCM0099	Phenelzine	10 mM		Human normal cells (HEK-293T)	[1]

1	Hydrazines as versatile chemical biology probes and drug-discovery tools for cofactor-dependent enzymes. bioRxiv, 2020-06.