Details of the Competitor

General Information of Competitor

Competitor ID	LDCM0157
Competitor Name	EN6
Synonyms	1808714-73-9; N-[4-fluoro-3-(prop-2-enamido)phenyl]-1-(2-fluorophenyl)-1H-pyrazole-4-carboxamide; EN6; N-(3-acrylamido-4-fluorophenyl)-1-(2-fluorophenyl)-1H-pyrazole-4-carboxamide; EN 6; EN-6; SCHEMBL21393135; C19H14F2N4O2; ABM-4739; EX-A3184; MFCD31665468; s6650; ZB1625; AKOS037648810; AC-36359; BE171458; BS-15697; HY-128892; CS-0101924; D80862; EN300-1720461; Z1410267069; 1-(2-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide; N-[4-FLUORO-3-(PROP-2-ENAMIDO)PHENYL]-1-(2-FLUOROPHENYL)PYRAZOLE-4-CARBOXAMIDE
Structure
Structure	3D MOL		2D MOL
Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	368.3
	Lipid-water partition coefficient (xlogp)	2.7
	Rotatable Bond Count (rotbonds)	5
	Hydrogen Bond Donor Count (hbonddonor)	2
	Hydrogen Bond Acceptor Count (hbondacc)	5
Chemical Identifiers	Formula C19H14F2N4O2 IUPAC Name 1-(2-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide Canonical SMILES C=CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CN(N=C2)C3=CC=CC=C3F)F InChI InChI=1S/C19H14F2N4O2/c1-2-18(26)24-16-9-13(7-8-14(16)20)23-19(27)12-10-22-25(11-12)17-6-4-3-5-15(17)21/h2-11H,1H2,(H,23,27)(H,24,26) InChIKey SUSXQEYPNDORDQ-UHFFFAOYSA-N

The Competitor Interaction Atlas

Probe(s) Related This Competitor

ABPP Probe

Click To Hide/Show 1 Probe Related to This Competitor

Probe Name		Structure	Concentration	Cell-system	Ref
IPM Probe Info			100 uM	Human normal cell lysate (HEK293-A)	[1]

Target(s) List of this Competitor

2 Enzyme Competed by This Competitor

Target Name	Target ID	Binding Ratio	Interaction ID
NADH dehydrogenase iron-sulfur protein 7, mitochondrial (NDUFS7)	LDTP01165	4.56	LDD0406
V-type proton ATPase catalytic subunit A (ATP6V1A)	LDTP03859	6.32	LDD0406
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Full Information of The Labelling Profiles of This Competitor

IPM

Probe Info

Quantification: Probe vs (Probe+Competitor)

*Experiment 1 Reporting the Labelling Profiles of This Probe*				REF [1]
Probe concentration	100 uM
Quantitative Method	Isotope tag
Experimemt Name	ISO-TOP ABPP
Competitor Name	EN6
Competitor Concentration	50 uM
*In Vitro* Experiment Model**	Model Type	Cell lysate
	Derived Tissue	Peripheral blood
	Disease Model	Normal
	Model Name	Human normal cell lysate (HEK293-A)
Interaction Atlas ID	LDD0406		Download The Altas

References

1	Covalent targeting of the vacuolar H(+)-ATPase activates autophagy via mTORC1 inhibition. Nat Chem Biol. 2019 Aug;15(8):776-785. doi: 10.1038/s41589-019-0308-4. Epub 2019 Jul 8.