Probe ID	LDPC0180
Probe Name	Alkyne-RA190
Probe Type	ABPP Probe
Structure
	2D MOL
Ro5 Violations (Lipinski): 2	Molecular Weight (mw)		654.421
	Lipid-water partition coefficient (xlogp)		7.7095
	Rotatable Bond Count (rotbonds)		9
	Hydrogen Bond Donor Count (hbonddonor)		1
	Hydrogen Bond Acceptor Count (hbondacc)		3
Chemical Identifiers	Formula C34H28Cl4N2O3 Canonical SMILES C#CCCCC(=O)NC(Cc1ccccc1)C(=O)N1CC(=Cc2ccc(Cl)c(Cl)c2)C(=O)C(=Cc2ccc(Cl)c(Cl)c2)C1 InChI InChI=1S/C34H28Cl4N2O3/c1-2-3-5-10-32(41)39-31(19-22-8-6-4-7-9-22)34(43)40-20-25(15-23-11-13-27(35)29(37)17-23)33(42)26(21-40)16-24-12-14-28(36)30(38)18-24/h1,4,6-9,11-18,31H,3,5,10,19-21H2,(H,39,41)/b25-15+,26-16+/t31-/m0/s1 InChIKey SRMMHHJSKZOTEX-DFLDXFFVSA-N

66 Enzyme Labeled by This Probe Target Name Target ID Binding Site(Ratio) Interaction ID 26S proteasome non-ATPase regulatory subunit 14 (PSMD14) LDTP00294 8.02  LDD0299  Acyl-coenzyme A thioesterase MBLAC2 (MBLAC2) LDTP07323 3.61  LDD0303  ADP-dependent glucokinase (ADPGK) LDTP11127 5.02  LDD0299  ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (CD38) LDTP03458 4.08  LDD0299  Atlastin-3 (ATL3) LDTP07362 9.89  LDD0299  ATP synthase membrane subunit K, mitochondrial (ATP5MK) LDTP10432 4.39  LDD0299  ATP-binding cassette sub-family D member 1 (ABCD1) LDTP03676 3.81  LDD0303  ATPase PAAT (PAAT) LDTP12057 2.10  LDD0303  Atypical kinase COQ8B, mitochondrial (COQ8B) LDTP10201 3.85  LDD0299  Beta-galactoside alpha-2,6-sialyltransferase 1 (ST6GAL1) LDTP02812 8.96  LDD0299  Carnitine O-palmitoyltransferase 1, liver isoform (CPT1A) LDTP04358 5.31  LDD0299  Caspase-2 (CASP2) LDTP03985 2.93  LDD0299  Catechol O-methyltransferase (COMT) LDTP03145 2.38  LDD0300  Catechol O-methyltransferase domain-containing protein 1 (COMTD1) LDTP17587 4.37  LDD0303  Cathepsin B (CTSB) LDTP02223 2.32  LDD0300  COP9 signalosome complex subunit 3 (COPS3) LDTP13675 2.07  LDD0299  Dehydrogenase/reductase SDR family member 13 (DHRS13) LDTP15154 7.68  LDD0299  DGAT1/2-independent enzyme synthesizing storage lipids (TMEM68) LDTP19892 4.71  LDD0299  Dimethylaniline monooxygenase [N-oxide-forming] 4 (FMO4) LDTP03599 2.15  LDD0302  Disintegrin and metalloproteinase domain-containing protein 8 (ADAM8) LDTP05091 2.37  LDD0300  DNA-directed RNA polymerase I subunit RPA49 (POLR1E) LDTP11642 2.60  LDD0300  Dol-P-Man:Man(5)GlcNAc(2)-PP-Dol alpha-1,3-mannosyltransferase (ALG3) LDTP09841 35.03  LDD0303  Double-stranded RNA-specific adenosine deaminase (ADAR) LDTP04690 2.62  LDD0299  E3 SUMO-protein ligase RanBP2 (RANBP2) LDTP04310 3.20  LDD0299  E3 ubiquitin-protein ligase TRIM13 (TRIM13) LDTP01065 3.45  LDD0303  Endonuclease domain-containing 1 protein (ENDOD1) LDTP01462 4.11  LDD0299  ER degradation-enhancing alpha-mannosidase-like protein 3 (EDEM3) LDTP11558 3.61  LDD0300  Exosome complex component 10 (EXOSC10) LDTP05312 2.42  LDD0300  Glutathione hydrolase 7 (GGT7) LDTP13367 3.04  LDD0302  Heme oxygenase 2 (HMOX2) LDTP03540 2.90  LDD0299  Kinesin-like protein KIF11 (KIF11) LDTP04519 2.39  LDD0299  L-2-hydroxyglutarate dehydrogenase, mitochondrial (L2HGDH) LDTP12105 4.95  LDD0299  Legumain (LGMN) LDTP10888 3.24  LDD0299  Long-chain fatty acid transport protein 4 (SLC27A4) LDTP07511 2.56  LDD0299  Long-chain-fatty-acid--CoA ligase 5 (ACSL5) LDTP13533 2.07  LDD0299  Lysophosphatidylcholine acyltransferase 2 (LPCAT2) LDTP07967 4.81  LDD0299  Lysophosphatidylserine lipase ABHD12 (ABHD12) LDTP08799 2.76  LDD0299  Lysophospholipid acyltransferase LPCAT4 (LPCAT4) LDTP07290 4.39  LDD0299  Mitochondrial ubiquitin ligase activator of NFKB 1 (MUL1) LDTP10038 2.91  LDD0299  NADH dehydrogenase 1 beta subcomplex subunit 1 (NDUFB1) LDTP01219 2.23  LDD0303  NADH dehydrogenase 1 beta subcomplex subunit 4 (NDUFB4) LDTP01514 2.64  LDD0299  Nucleoside diphosphate kinase 3 (NME3) LDTP05795 3.39  LDD0300  Patatin-like phospholipase domain-containing protein 2 (PNPLA2) LDTP10077 2.29  LDD0299  Peptidyl-prolyl cis-trans isomerase FKBP8 (FKBP8) LDTP06104 2.34  LDD0299  Peroxiredoxin-5, mitochondrial (PRDX5) LDTP03512 2.85  LDD0300  Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 (INPP5D) LDTP09895 3.35  LDD0300  Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 3.43  LDD0299  Presenilin-1 (PSEN1) LDTP04303 2.07  LDD0303  Probable N-acetyltransferase 14 (NAT14) LDTP18083 28.00  LDD0303  Protein disulfide-isomerase TMX3 (TMX3) LDTP10471 2.22  LDD0299  Retinol dehydrogenase 13 (RDH13) LDTP09061 2.59  LDD0300  Ribosomal biogenesis protein LAS1L (LAS1L) LDTP14074 3.08  LDD0299  Schlafen family member 11 (SLFN11) LDTP08156 2.22  LDD0299  Serine palmitoyltransferase 1 (SPTLC1) LDTP00597 2.44  LDD0299  Serine palmitoyltransferase 2 (SPTLC2) LDTP00598 2.44  LDD0303  Serine/threonine-protein kinase pim-2 (PIM2) LDTP13004 3.81  LDD0300  Serine/threonine-protein phosphatase PGAM5, mitochondrial (PGAM5) LDTP10399 2.41  LDD0299  Signal peptidase complex subunit 3 (SPCS3) LDTP04889 3.57  LDD0299  Soluble calcium-activated nucleotidase 1 (CANT1) LDTP09620 2.24  LDD0302  Squalene synthase (FDFT1) LDTP03842 2.06  LDD0300  Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating (NSDHL) LDTP06455 2.34  LDD0300  Sulfhydryl oxidase 2 (QSOX2) LDTP07813 5.12  LDD0303  Threonylcarbamoyladenosine tRNA methylthiotransferase (CDKAL1) LDTP07227 2.85  LDD0299  Thymidylate synthase (TYMS) LDTP02055 2.16  LDD0299  Ubiquitin-associated domain-containing protein 2 (UBAC2) LDTP09060 2.12  LDD0303  V-type proton ATPase catalytic subunit A (ATP6V1A) LDTP03859 2.23  LDD0300  ------------------------------------------------------------------------------------ ⏷ Show the Full List of 66 Enzyme
34 Transporter and channel Labeled by This Probe Target Name Target ID Binding Site(Ratio) Interaction ID Amiloride-sensitive sodium channel subunit beta (SCNN1B) LDTP04407 17.04  LDD0299  Apoptosis regulator BAX (BAX) LDTP05528 2.79  LDD0299  ATP synthase subunit gamma, mitochondrial (ATP5F1C) LDTP03810 2.27  LDD0299  Bone marrow stromal antigen 2 (BST2) LDTP05631 2.76  LDD0299  Cation-dependent mannose-6-phosphate receptor (M6PR) LDTP03061 2.44  LDD0299  Cytochrome b-245 light chain (CYBA) LDTP02658 2.79  LDD0299  Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 2 (RPN2) LDTP02058 2.84  LDD0299  Exportin-5 (XPO5) LDTP12142 2.60  LDD0300  Guided entry of tail-anchored proteins factor CAMLG (CAMLG) LDTP04227 4.32  LDD0300  HIG1 domain family member 2A, mitochondrial (HIGD2A) LDTP15898 79.14  LDD0299  Importin-4 (IPO4) LDTP09515 2.63  LDD0300  Mitochondrial import receptor subunit TOM40 homolog (TOMM40) LDTP01748 2.82  LDD0300  Mitochondrial thiamine pyrophosphate carrier (SLC25A19) LDTP12210 3.75  LDD0299  Mpv17-like protein 2 (MPV17L2) LDTP14952 6.79  LDD0299  Neutral amino acid transporter B(0) (SLC1A5) LDTP06462 2.06  LDD0299  Nuclear pore complex protein Nup107 (NUP107) LDTP04800 2.98  LDD0300  Nuclear pore complex protein Nup133 (NUP133) LDTP09579 2.75  LDD0299  Nuclear pore complex protein Nup88 (NUP88) LDTP10897 2.63  LDD0299  Nuclear pore membrane glycoprotein 210 (NUP210) LDTP09502 3.44  LDD0299  Nucleoporin NDC1 (NDC1) LDTP11213 2.22  LDD0299  PRA1 family protein 2 (PRAF2) LDTP01060 12.91  LDD0299  Probable mitochondrial glutathione transporter SLC25A40 (SLC25A40) LDTP18053 3.39  LDD0299  Protein RER1 (RER1) LDTP00590 3.95  LDD0300  Reduced folate transporter (SLC19A1) LDTP03952 2.30  LDD0300  Sigma intracellular receptor 2 (TMEM97) LDTP06945 9.91  LDD0299  Syntaxin-5 (STX5) LDTP05780 2.01  LDD0299  Transferrin receptor protein 1 (TFRC) LDTP01969 2.31  LDD0299  Translocation protein SEC62 (SEC62) LDTP15838 2.51  LDD0300  Transmembrane emp24 domain-containing protein 1 (TMED1) LDTP05875 2.56  LDD0303  Transmembrane protein 126A (TMEM126A) LDTP15948 9.22  LDD0299  Transmembrane protein 214 (TMEM214) LDTP07477 2.94  LDD0299  Vesicle-associated membrane protein 3 (VAMP3) LDTP06490 2.79  LDD0302  Vesicle-associated membrane protein-associated protein B/C (VAPB) LDTP01556 3.33  LDD0300  Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 2.06  LDD0299  ------------------------------------------------------------------------------------ ⏷ Show the Full List of 34 Transporter and channel
5 Transcription factor Labeled by This Probe Target Name Target ID Binding Site(Ratio) Interaction ID Class E basic helix-loop-helix protein 40 (BHLHE40) LDTP00351 2.10  LDD0303  Interferon regulatory factor 4 (IRF4) LDTP06354 2.80  LDD0299  NF-kappa-B-repressing factor (NKRF) LDTP00576 2.33  LDD0300  Nucleus accumbens-associated protein 1 (NACC1) LDTP10756 3.45  LDD0300  Upstream stimulatory factor 2 (USF2) LDTP06495 2.87  LDD0303  ------------------------------------------------------------------------------------
1 Immunoglobulin Labeled by This Probe Target Name Target ID Binding Site(Ratio) Interaction ID SLAM family member 7 (SLAMF7) LDTP12387 2.98  LDD0299  ------------------------------------------------------------------------------------
1 Cytokine and receptor Labeled by This Probe Target Name Target ID Binding Site(Ratio) Interaction ID CD70 antigen (CD70) LDTP03659 2.43  LDD0299  ------------------------------------------------------------------------------------
83 Other Labeled by This Probe Target Name Target ID Binding Site(Ratio) Interaction ID Activating signal cointegrator 1 complex subunit 2 (ASCC2) LDTP11766 2.81  LDD0299  Alpha-centractin (ACTR1A) LDTP04904 4.03  LDD0300  Alpha-taxilin (TXLNA) LDTP03886 4.76  LDD0300  BET1-like protein (BET1L) LDTP16142 2.65  LDD0303  Borealin (CDCA8) LDTP06915 2.56  LDD0299  CCR4-NOT transcription complex subunit 1 (CNOT1) LDTP00078 2.50  LDD0300  CDGSH iron-sulfur domain-containing protein 2 (CISD2) LDTP08902 2.34  LDD0303  Cell cycle exit and neuronal differentiation protein 1 (CEND1) LDTP15395 4.98  LDD0299  Condensin-2 complex subunit G2 (NCAPG2) LDTP08359 2.02  LDD0299  DNA polymerase epsilon subunit 3 (POLE3) LDTP12506 4.18  LDD0299  Dynactin subunit 2 (DCTN2) LDTP05922 3.19  LDD0299  Dynein axonemal assembly factor 5 (DNAAF5) LDTP08387 3.49  LDD0300  Enhancer of mRNA-decapping protein 4 (EDC4) LDTP07521 3.62  LDD0299  Fanconi anemia group I protein (FANCI) LDTP12680 2.25  LDD0299  Formin-like protein 1 (FMNL1) LDTP01611 2.09  LDD0300  G1/S-specific cyclin-D2 (CCND2) LDTP03527 8.33  LDD0299  Guanine nucleotide-binding protein G(i) subunit alpha-3 (GNAI3) LDTP02306 2.84  LDD0300  Guanine nucleotide-binding protein subunit alpha-13 (GNA13) LDTP06109 2.23  LDD0299  HEAT repeat-containing protein 3 (HEATR3) LDTP15253 2.49  LDD0299  Heterogeneous nuclear ribonucleoprotein F (HNRNPF) LDTP04514 2.41  LDD0299  Heterogeneous nuclear ribonucleoprotein H2 (HNRNPH2) LDTP04714 6.79  LDD0300  Heterogeneous nuclear ribonucleoprotein M (HNRNPM) LDTP04500 3.57  LDD0300  Hippocalcin-like protein 1 (HPCAL1) LDTP03841 2.01  LDD0299  Inner nuclear membrane protein Man1 (LEMD3) LDTP13913 2.08  LDD0299  Junctional sarcoplasmic reticulum protein 1 (JSRP1) LDTP10584 5.70  LDD0299  KH domain-containing RNA-binding protein QKI (QKI) LDTP10700 2.53  LDD0299  KH domain-containing, RNA-binding, signal transduction-associated protein 1 (KHDRBS1) LDTP05525 2.81  LDD0300  Kinetochore protein NDC80 homolog (NDC80) LDTP00431 2.10  LDD0299  La-related protein 4B (LARP4B) LDTP09820 2.40  LDD0300  Lamina-associated polypeptide 2, isoform alpha (TMPO) LDTP03967 2.02  LDD0300  Melanoma-associated antigen 1 (MAGEA1) LDTP04038 10.69  LDD0299  Melanoma-associated antigen D2 (MAGED2) LDTP13657 2.98  LDD0299  Melanoma-associated antigen H1 (MAGEH1) LDTP15973 2.48  LDD0303  Mitochondrial import inner membrane translocase subunit Tim29 (TIMM29) LDTP15874 5.20  LDD0300  MMS19 nucleotide excision repair protein homolog (MMS19) LDTP10843 67.30  LDD0300  MOB kinase activator 3A (MOB3A) LDTP18131 2.03  LDD0300  Nesprin-3 (SYNE3) LDTP07781 2.61  LDD0300  Nicastrin (NCSTN) LDTP09787 3.40  LDD0299  Nucleolar complex protein 3 homolog (NOC3L) LDTP09545 2.75  LDD0300  Nucleolar MIF4G domain-containing protein 1 (NOM1) LDTP06954 2.34  LDD0299  OCIA domain-containing protein 1 (OCIAD1) LDTP12755 5.28  LDD0299  Origin recognition complex subunit 6 (ORC6) LDTP14139 25.74  LDD0299  Perilipin-3 (PLIN3) LDTP01021 3.07  LDD0299  Poly(rC)-binding protein 1 (PCBP1) LDTP06366 2.01  LDD0299  Pre-B-cell leukemia transcription factor-interacting protein 1 (PBXIP1) LDTP10091 3.20  LDD0299  Proliferation marker protein Ki-67 (MKI67) LDTP04078 2.79  LDD0300  Proteasome maturation protein (POMP) LDTP13800 35.38  LDD0299  Protein BRICK1 (BRK1) LDTP09587 3.57  LDD0299  Protein C3orf33 (C3orf33) LDTP15110 2.74  LDD0303  Protein FAM114A2 (FAM114A2) LDTP16080 4.17  LDD0299  Protein THEM6 (THEM6) LDTP19831 5.90  LDD0299  Ragulator complex protein LAMTOR1 (LAMTOR1) LDTP07401 2.25  LDD0299  RAS protein activator like-3 (RASAL3) LDTP08418 3.33  LDD0300  Receptor expression-enhancing protein 5 (REEP5) LDTP05257 2.08  LDD0299  Reticulon-3 (RTN3) LDTP01522 2.77  LDD0299  Ribosomal L1 domain-containing protein 1 (RSL1D1) LDTP01379 5.32  LDD0299  Ribosomal RNA processing protein 1 homolog A (RRP1) LDTP04729 2.21  LDD0299  Ribosomal RNA processing protein 1 homolog B (RRP1B) LDTP06182 3.61  LDD0300  RNA-binding protein 4 (RBM4) LDTP11324 4.87  LDD0299  RRP12-like protein (RRP12) LDTP14980 2.05  LDD0299  Sequestosome-1 (SQSTM1) LDTP05898 2.07  LDD0299  Serine/threonine-protein phosphatase 6 regulatory subunit 1 (PPP6R1) LDTP13701 2.46  LDD0299  Sister chromatid cohesion protein PDS5 homolog A (PDS5A) LDTP06684 2.61  LDD0300  Small ribosomal subunit protein eS17 (RPS17) LDTP02302 2.44  LDD0299  Spermatogenesis-associated serine-rich protein 2 (SPATS2) LDTP17603 2.32  LDD0300  SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily D member 1 (SMARCD1) LDTP10353 3.47  LDD0299  Symplekin (SYMPK) LDTP09878 2.77  LDD0300  Syntaxin-7 (STX7) LDTP00632 2.17  LDD0303  Syntaxin-8 (STX8) LDTP13664 3.29  LDD0302  TELO2-interacting protein 1 homolog (TTI1) LDTP00691 3.34  LDD0299  Telomere-associated protein RIF1 (RIF1) LDTP07205 4.48  LDD0299  Telomeric repeat-binding factor 2 (TERF2) LDTP06412 3.10  LDD0299  Thioredoxin-related transmembrane protein 4 (TMX4) LDTP18373 6.32  LDD0299  Translin-associated protein X (TSNAX) LDTP10914 2.36  LDD0299  Treacle protein (TCOF1) LDTP05867 2.10  LDD0299  Tubulin beta-8 chain (TUBB8) LDTP06809 2.10  LDD0299  Tuftelin-interacting protein 11 (TFIP11) LDTP13094 3.00  LDD0299  U2 snRNP-associated SURP motif-containing protein (U2SURP) LDTP00517 2.46  LDD0299  U3 small nucleolar RNA-associated protein 18 homolog (UTP18) LDTP14122 5.08  LDD0300  Uncharacterized protein C12orf60 (C12orf60) LDTP19425 24.72  LDD0303  Uncharacterized protein C15orf61 (C15orf61) LDTP18863 2.47  LDD0303  UPF0729 protein C18orf32 (C18orf32) LDTP15599 10.00  LDD0302  Vacuolar protein sorting-associated protein 51 homolog (VPS51) LDTP13338 3.88  LDD0299  ------------------------------------------------------------------------------------ ⏷ Show the Full List of 83 Other

Competitor ID	Name	Concentration		Cell-system	Ref
LDCM0131	RA190	5 uM		Human plasma cell myeloma cells (MM1.R)	[1]

1	Physical and Functional Analysis of the Putative Rpn13 Inhibitor RA190. Cell Chem Biol. 2020 Nov 19;27(11):1371-1382.e6. doi: 10.1016/j.chembiol.2020.08.007. Epub 2020 Aug 27.