Probe ID	LDPC0174
Probe Name	IMP2070
Probe Type	PAL-AfBPP Probe
Structure
	2D MOL
Ro5 Violations (Lipinski): 1	Molecular Weight (mw)		519.627
	Lipid-water partition coefficient (xlogp)		3.8219
	Rotatable Bond Count (rotbonds)		8
	Hydrogen Bond Donor Count (hbonddonor)		2
	Hydrogen Bond Acceptor Count (hbondacc)		6
Chemical Identifiers	Formula C27H29N5O4S Canonical SMILES C#CCN(CCC1(C)N=N1)C(=O)c1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1 InChI InChI=1S/C27H29N5O4S/c1-3-15-32(16-14-27(2)30-31-27)25(33)18-10-12-21(13-11-18)37(35,36)29-26(34)28-24-22-8-4-6-19(22)17-20-7-5-9-23(20)24/h1,10-13,17H,4-9,14-16H2,2H3,(H2,28,29,34) InChIKey ORBFGOZFVGXLTP-UHFFFAOYSA-N

14 Enzyme Labeled by This Probe Target Name Target ID Binding Site(Ratio) Interaction ID CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 1.61  LDD0280  CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 1.61  LDD0280  Carbonic anhydrase 2 (CA2) LDTP01806 1.91  LDD0280  Carbonic anhydrase 2 (CA2) LDTP01806 1.91  LDD0280  Cathepsin D (CTSD) LDTP02198 11.49  LDD0367  Cathepsin D (CTSD) LDTP02198 11.49  LDD0367  Glutamate dehydrogenase 1, mitochondrial (GLUD1) LDTP01768 2.46  LDD0367  Glutamate dehydrogenase 1, mitochondrial (GLUD1) LDTP01768 2.46  LDD0367  Prolyl 4-hydroxylase subunit alpha-1 (P4HA1) LDTP02679 1.79  LDD0367  Prolyl 4-hydroxylase subunit alpha-1 (P4HA1) LDTP02679 1.79  LDD0367  Protein disulfide-isomerase (P4HB) LDTP02188 3.19  LDD0367  Protein disulfide-isomerase (P4HB) LDTP02188 3.19  LDD0367  Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 3.51  LDD0367  Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 3.51  LDD0367  ------------------------------------------------------------------------------------ ⏷ Show the Full List of 14 Enzyme
14 Transporter and channel Labeled by This Probe Target Name Target ID Binding Site(Ratio) Interaction ID ADP/ATP translocase 3 (SLC25A6) LDTP02609 1.56  LDD0367  ADP/ATP translocase 3 (SLC25A6) LDTP02609 1.56  LDD0367  B-cell receptor-associated protein 31 (BCAP31) LDTP04426 2.99  LDD0280  B-cell receptor-associated protein 31 (BCAP31) LDTP04426 2.99  LDD0280  Calnexin (CANX) LDTP03405 2.63  LDD0367  Calnexin (CANX) LDTP03405 2.63  LDD0367  Hypoxia up-regulated protein 1 (HYOU1) LDTP14066 1.87  LDD0367  Hypoxia up-regulated protein 1 (HYOU1) LDTP14066 1.87  LDD0367  Solute carrier family 25 member 3 (SLC25A3) LDTP05238 1.53  LDD0367  Solute carrier family 25 member 3 (SLC25A3) LDTP05238 1.53  LDD0367  Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 2.93  LDD0367  Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 2.93  LDD0367  Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 1.94  LDD0367  Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 1.94  LDD0367  ------------------------------------------------------------------------------------ ⏷ Show the Full List of 14 Transporter and channel
2 Immunoglobulin Labeled by This Probe Target Name Target ID Binding Site(Ratio) Interaction ID HLA class I histocompatibility antigen, alpha chain E (HLA-E) LDTP02688 7.29  LDD0280  HLA class I histocompatibility antigen, alpha chain E (HLA-E) LDTP02688 7.29  LDD0280  ------------------------------------------------------------------------------------
22 Other Labeled by This Probe Target Name Target ID Binding Site(Ratio) Interaction ID Bcl-2-associated transcription factor 1 (BCLAF1) LDTP12826 1.48  LDD0370  Bcl-2-associated transcription factor 1 (BCLAF1) LDTP12826 1.48  LDD0370  Endoplasmin (HSP90B1) LDTP02734 1.45  LDD0367  Endoplasmin (HSP90B1) LDTP02734 1.45  LDD0367  Heat shock protein beta-1 (HSPB1) LDTP02053 1.88  LDD0367  Heat shock protein beta-1 (HSPB1) LDTP02053 1.88  LDD0367  Heterogeneous nuclear ribonucleoprotein M (HNRNPM) LDTP04500 1.45  LDD0367  Heterogeneous nuclear ribonucleoprotein M (HNRNPM) LDTP04500 1.45  LDD0367  Heterogeneous nuclear ribonucleoprotein Q (SYNCRIP) LDTP00991 1.61  LDD0367  Heterogeneous nuclear ribonucleoprotein Q (SYNCRIP) LDTP00991 1.61  LDD0367  Integrin beta-2 (ITGB2) LDTP02077 2.20  LDD0367  Integrin beta-2 (ITGB2) LDTP02077 2.20  LDD0367  Large ribosomal subunit protein eL37 (RPL37) LDTP04943 1.65  LDD0370  Large ribosomal subunit protein eL37 (RPL37) LDTP04943 1.65  LDD0370  Large ribosomal subunit protein uL15 (RPL27A) LDTP04105 1.41  LDD0369  Large ribosomal subunit protein uL15 (RPL27A) LDTP04105 1.41  LDD0369  Luc7-like protein 3 (LUC7L3) LDTP01534 1.57  LDD0370  Luc7-like protein 3 (LUC7L3) LDTP01534 1.57  LDD0370  Nucleobindin-2 (NUCB2) LDTP05160 1.75  LDD0280  Nucleobindin-2 (NUCB2) LDTP05160 1.75  LDD0280  Small ribosomal subunit protein uS11 (RPS14) LDTP04970 1.63  LDD0368  Small ribosomal subunit protein uS11 (RPS14) LDTP04970 1.63  LDD0368  ------------------------------------------------------------------------------------ ⏷ Show the Full List of 22 Other

Competitor ID	Name	Concentration		Cell-system	Ref
LDCM0145	MCC950	5 uM		Human acute monocytic leukemia cells (THP-1)	[1]

1	A Probe for NLRP3 Inflammasome Inhibitor MCC950 Identifies Carbonic Anhydrase 2 as a Novel Target. ACS Chem Biol. 2021 Jun 18;16(6):982-990. doi: 10.1021/acschembio.1c00218. Epub 2021 May 18. Mass spectrometry data entry: PXD024915 , PXD024913