Details of the Probe

General Information of Probe

Probe ID
LDPC0261
Probe Name
FFF probe7
Synonyms
SCHEMBL20400629
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 294.35
Lipid-water partition coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H18N4O
IUPAC Name
3-(3-but-3-ynyldiazirin-3-yl)-N-(1H-indol-5-ylmethyl)propanamide
Canonical SMILES
C#CCCC1(N=N1)CCC(=O)NCC2=CC3=C(C=C2)NC=C3
InChI
InChI=1S/C17H18N4O/c1-2-3-8-17(20-21-17)9-6-16(22)19-12-13-4-5-15-14(11-13)7-10-18-15/h1,4-5,7,10-11,18H,3,6,8-9,12H2,(H,19,22)
InChIKey
ZBPGYVKNZCMIOE-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

52 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
5'-3' exonuclease PLD3 (PLD3) LDTP08476 20.00  LDD0483 
7-methylguanosine phosphate-specific 5'-nucleotidase (NT5C3B) LDTP10032 20.00  LDD0483 
Acetyl-CoA acetyltransferase, cytosolic (ACAT2) LDTP11321 11.87  LDD0483 
Acyl-CoA 6-desaturase (FADS2) LDTP01699 20.00  LDD0483 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 8.41  LDD0483 
Alpha-aminoadipic semialdehyde dehydrogenase (ALDH7A1) LDTP04253 8.86  LDD0483 
Alpha-galactosidase A (GLA) LDTP02141 10.98  LDD0483 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 20.00  LDD0483 
Beta-galactosidase (GLB1) LDTP02837 13.12  LDD0483 
Bis(monoacylglycero)phosphate synthase CLN5 (CLN5) LDTP01241 10.38  LDD0483 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 20.00  LDD0483 
Cathepsin D (CTSD) LDTP02198 20.00  LDD0483 
Cytochrome b-c1 complex subunit 1, mitochondrial (UQCRC1) LDTP03610 12.33  LDD0483 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 7.98  LDD0483 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 13.65  LDD0483 
Dihydrofolate reductase (DHFR) LDTP01769 20.00  LDD0483 
DNA replication licensing factor MCM4 (MCM4) LDTP03680 13.89  LDD0483 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 20.00  LDD0483 
Elongation factor Tu, mitochondrial (TUFM) LDTP04251 5.30  LDD0483 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 20.00  LDD0483 
Enoyl-CoA hydratase, mitochondrial (ECHS1) LDTP03518 5.73  LDD0483 
Epoxide hydrolase 1 (EPHX1) LDTP02175 13.13  LDD0483 
Ferrochelatase, mitochondrial (FECH) LDTP03198 20.00  LDD0483 
Gamma-interferon-inducible lysosomal thiol reductase (IFI30) LDTP02651 20.00  LDD0483 
Heme oxygenase 2 (HMOX2) LDTP03540 20.00  LDD0483 
Histidine--tRNA ligase, cytoplasmic (HARS1) LDTP02602 20.00  LDD0483 
Histone-lysine N-methyltransferase SMYD3 (SMYD3) LDTP12020 10.39  LDD0483 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 20.00  LDD0483 
Leukotriene A-4 hydrolase (LTA4H) LDTP02385 20.00  LDD0483 
Lysophospholipid acyltransferase 5 (LPCAT3) LDTP07504 19.13  LDD0483 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 17.27  LDD0483 
Medium-chain specific acyl-CoA dehydrogenase, mitochondrial (ACADM) LDTP02565 17.93  LDD0483 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 20.00  LDD0483 
Palmitoyl-protein thioesterase 1 (PPT1) LDTP04388 20.00  LDD0483 
Prenylcysteine oxidase 1 (PCYOX1) LDTP13282 20.00  LDD0483 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 20.00  LDD0483 
Prostaglandin reductase 2 (PTGR2) LDTP08979 13.12  LDD0483 
Prostaglandin reductase 3 (PTGR3) LDTP15422 20.00  LDD0483 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 10.63  LDD0483 
Proteasome subunit beta type-5 (PSMB5) LDTP03419 5.04  LDD0483 
Protein O-GlcNAcase (OGA) LDTP00988 7.58  LDD0483 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 20.00  LDD0483 
Ribosomal protein S6 kinase alpha-3 (RPS6KA3) LDTP04471 14.08  LDD0483 
RuvB-like 2 (RUVBL2) LDTP13787 12.25  LDD0483 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 20.00  LDD0483 
Serine hydroxymethyltransferase, mitochondrial (SHMT2) LDTP03689 13.16  LDD0483 
Serine palmitoyltransferase 1 (SPTLC1) LDTP00597 13.13  LDD0483 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 20.00  LDD0483 
Squalene synthase (FDFT1) LDTP03842 20.00  LDD0483 
Synaptic vesicle membrane protein VAT-1 homolog (VAT1) LDTP10887 14.22  LDD0483 
Very-long-chain 3-oxoacyl-CoA reductase (HSD17B12) LDTP06901 15.99  LDD0483 
Very-long-chain enoyl-CoA reductase (TECR) LDTP12867 12.66  LDD0483 
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⏷ Show the Full List of 52 Enzyme
17 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Electrogenic aspartate/glutamate antiporter SLC25A13, mitochondrial (SLC25A13) LDTP13393 12.29  LDD0483 
ER lumen protein-retaining receptor 1 (KDELR1) LDTP03277 20.00  LDD0483 
Lysosome membrane protein 2 (SCARB2) LDTP06034 20.00  LDD0483 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 5.63  LDD0483 
Metaxin-1 (MTX1) LDTP05900 20.00  LDD0483 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 20.00  LDD0483 
Mitochondrial carrier homolog 2 (MTCH2) LDTP14235 9.25  LDD0483 
NPC intracellular cholesterol transporter 1 (NPC1) LDTP00541 20.00  LDD0483 
Prosaposin (PSAP) LDTP02215 20.00  LDD0483 
Protein SEC13 homolog (SEC13) LDTP04707 11.38  LDD0483 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 20.00  LDD0483 
Surfeit locus protein 4 (SURF4) LDTP00592 5.53  LDD0483 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 10.58  LDD0483 
V-type proton ATPase 116 kDa subunit a 1 (ATP6V0A1) LDTP09968 8.48  LDD0483 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 20.00  LDD0483 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 20.00  LDD0483 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 8.76  LDD0483 
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⏷ Show the Full List of 17 Transporter and channel
24 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 20.00  LDD0483 
Calumenin (CALU) LDTP00887 20.00  LDD0483 
Centrosomal protein 43 (CEP43) LDTP01652 20.00  LDD0483 
Clustered mitochondria protein homolog (CLUH) LDTP14486 20.00  LDD0483 
ER lumen protein-retaining receptor 2 (KDELR2) LDTP03678 20.00  LDD0483 
Eukaryotic translation initiation factor 5 (EIF5) LDTP04652 5.54  LDD0483 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 13.26  LDD0483 
HEAT repeat-containing protein 3 (HEATR3) LDTP15253 20.00  LDD0483 
Heterogeneous nuclear ribonucleoprotein H2 (HNRNPH2) LDTP04714 5.83  LDD0483 
Heterogeneous nuclear ribonucleoprotein H3 (HNRNPH3) LDTP03614 6.22  LDD0483 
Large proline-rich protein BAG6 (BAG6) LDTP04094 20.00  LDD0483 
Mitochondrial import receptor subunit TOM22 homolog (TOMM22) LDTP12565 20.00  LDD0483 
Neudesin (NENF) LDTP13630 18.96  LDD0483 
Nucleobindin-1 (NUCB1) LDTP05375 20.00  LDD0483 
Nucleosome assembly protein 1-like 1 (NAP1L1) LDTP04684 12.81  LDD0483 
Nucleosome assembly protein 1-like 4 (NAP1L4) LDTP10965 13.13  LDD0483 
Protein unc-119 homolog B (UNC119B) LDTP00105 20.00  LDD0483 
Rab9 effector protein with kelch motifs (RABEPK) LDTP08130 20.00  LDD0483 
Reticulocalbin-1 (RCN1) LDTP06352 20.00  LDD0483 
Reticulocalbin-2 (RCN2) LDTP06097 5.89  LDD0483 
Reticulon-4 (RTN4) LDTP12412 20.00  LDD0483 
Signal recognition particle receptor subunit beta (SRPRB) LDTP16323 20.00  LDD0483 
Tetratricopeptide repeat protein 38 (TTC38) LDTP19372 20.00  LDD0483 
Vimentin (VIM) LDTP02297 6.64  LDD0483 
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⏷ Show the Full List of 24 Other

Full Information of The Labelling Profiles of This Probe

Quantification: AfBPP Probe vs Negative Probe
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
Probe:20uM; negative probe:20uM
Quantitative Method
SILAC
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Peripheral blood
Disease Model
Normal
Model Name
Human normal cells (HEK-293T)
Note
Negative probe:C#CCCC1(CCC(NC)=O)N=N1
Interaction Atlas ID
 LDD0483 
Download The Altas

References

1 Ligand and Target Discovery by Fragment-Based Screening in Human Cells. Cell. 2017 Jan 26;168(3):527-541.e29. doi: 10.1016/j.cell.2016.12.029. Epub 2017 Jan 19.