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

7 Enzyme Labeled by This Probe Target Name Target ID Binding Site(Ratio) Interaction ID CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 1.61  LDD0280  Carbonic anhydrase 2 (CA2) LDTP01806 1.91  LDD0280  Cathepsin D (CTSD) LDTP02198 11.49  LDD0367  Glutamate dehydrogenase 1, mitochondrial (GLUD1) LDTP01768 2.46  LDD0367  Prolyl 4-hydroxylase subunit alpha-1 (P4HA1) LDTP02679 1.79  LDD0367  Protein disulfide-isomerase (P4HB) LDTP02188 3.19  LDD0367  Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 3.51  LDD0367  ------------------------------------------------------------------------------------ ⏷ Show the Full List of 7 Enzyme
7 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  B-cell receptor-associated protein 31 (BCAP31) LDTP04426 2.99  LDD0280  Calnexin (CANX) LDTP03405 2.63  LDD0367  Hypoxia up-regulated protein 1 (HYOU1) LDTP14066 1.87  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 3 (VDAC3) LDTP13824 1.94  LDD0367  ------------------------------------------------------------------------------------ ⏷ Show the Full List of 7 Transporter and channel
1 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  ------------------------------------------------------------------------------------
11 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  Endoplasmin (HSP90B1) LDTP02734 1.45  LDD0367  Heat shock protein beta-1 (HSPB1) LDTP02053 1.88  LDD0367  Heterogeneous nuclear ribonucleoprotein M (HNRNPM) LDTP04500 1.45  LDD0367  Heterogeneous nuclear ribonucleoprotein Q (SYNCRIP) LDTP00991 1.61  LDD0367  Integrin beta-2 (ITGB2) LDTP02077 2.20  LDD0367  Large ribosomal subunit protein eL37 (RPL37) LDTP04943 1.65  LDD0370  Large ribosomal subunit protein uL15 (RPL27A) LDTP04105 1.41  LDD0369  Luc7-like protein 3 (LUC7L3) LDTP01534 1.57  LDD0370  Nucleobindin-2 (NUCB2) LDTP05160 1.75  LDD0280  Small ribosomal subunit protein uS11 (RPS14) LDTP04970 1.63  LDD0368  ------------------------------------------------------------------------------------ ⏷ Show the Full List of 11 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