Details of the Target

General Information of Target

Target ID LDTP10982
Target Name Aconitate hydratase, mitochondrial (ACO2)
Gene Name ACO2
Gene ID 50
Synonyms
Aconitate hydratase, mitochondrial; Aconitase; EC 4.2.1.3; Citrate hydro-lyase
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MLCVGRLGGLGARAAALPPRRAGRGSLEAGIRARRVSTSWSPVGAAFNVKPQGSRLDLFG
ERRGLFGVPELSAPEGFHIAQEKALRKTELLVDRACSTPPGPQTVLIFDELSDSLCRVAD
LADFVKIAHPEPAFREAAEEACRSIGTMVEKLNTNVDLYQSLQKLLADKKLVDSLDPETR
RVAELFMFDFEISGIHLDKEKRKRAVDLNVKILDLSSTFLMGTNFPNKIEKHLLPEHIRR
NFTSAGDHIIIDGLHAESPDDLVREAAYKIFLYPNAGQLKCLEELLSSRDLLAKLVGYST
FSHRALQGTIAKNPETVMQFLEKLSDKLSERTLKDFEMIRGMKMKLNPQNSEVMPWDPPY
YSGVIRAERYNIEPSLYCPFFSLGACMEGLNILLNRLLGISLYAEQPAKGEVWSEDVRKL
AVVHESEGLLGYIYCDFFQRADKPHQDCHFTIRGGRLKEDGDYQLPVVVLMLNLPRSSRS
SPTLLTPSMMENLFHEMGHAMHSMLGRTRYQHVTGTRCPTDFAEVPSILMEYFANDYRVV
NQFARHYQTGQPLPKNMVSRLCESKKVCAAADMQLQVFYATLDQIYHGKHPLRNSTTDIL
KETQEKFYGLPYVPNTAWQLRFSHLVGYGARYYSYLMSRAVASMVWKECFLQDPFNRAAG
ERYRREMLAHGGGREPMLMVEGMLQKCPSVDDFVSALVSDLDLDFETFLMDSE
Target Type
Literature-reported
Target Bioclass
Enzyme
Family
Aconitase/IPM isomerase family
Subcellular location
Mitochondrion
Function Catalyzes the isomerization of citrate to isocitrate via cis-aconitate.
TTD ID
T12627
Uniprot ID
Q99798
DrugMap ID
TTMTF2P
Ensemble ID
ENST00000216254.9
HGNC ID
HGNC:118

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 36 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
A-EBA
 Probe Info  		3.12  LDD0215  [1]
CY4
 Probe Info  		100.00  LDD0244  [2]
N1
 Probe Info  		100.00  LDD0242  [2]
TH211
 Probe Info  		Y513(19.63); Y432(19.43); Y390(16.13); Y151(12.52)  LDD0260  [3]
YN-1
 Probe Info  		100.00  LDD0444  [4]
STPyne
 Probe Info  		K144(8.73); K31(6.25); K401(10.00); K520(10.00)  LDD0277  [5]
IPM
 Probe Info  		C592(0.00); C385(0.00); C451(0.00)  LDD0241  [6]
Probe 1
 Probe Info  		Y432(4.70); Y513(21.84); Y544(7.45)  LDD3495  [7]
AF-2
 Probe Info  		10.00  LDD0422  [8]
BTD
 Probe Info  		C126(1.04)  LDD2089  [9]
AHL-Pu-1
 Probe Info  		C385(2.06)  LDD0173  [10]
HHS-475
 Probe Info  		Y513(1.03)  LDD0264  [11]
DBIA
 Probe Info  		C448(5.21); C451(2.33); C385(2.03)  LDD0080  [12]
5E-2FA
 Probe Info  		H596(0.00); H555(0.00); H546(0.00); H36(0.00)  LDD2235  [13]
ATP probe
 Probe Info  		K520(0.00); K521(0.00); K605(0.00); K401(0.00)  LDD0199  [14]
m-APA
 Probe Info  		H596(0.00); H555(0.00); H36(0.00); H546(0.00)  LDD2231  [13]
1d-yne
 Probe Info  		N.A.  LDD0358  [15]
4-Iodoacetamidophenylacetylene
 Probe Info  		C592(0.00); C126(0.00); C385(0.00); C448(0.00)  LDD0038  [16]
IA-alkyne
 Probe Info  		C126(0.00); C385(0.00); C448(0.00)  LDD0032  [17]
IPIAA_L
 Probe Info  		C385(0.00); C740(0.00)  LDD0031  [18]
Lodoacetamide azide
 Probe Info  		C740(0.00); C592(0.00); C277(0.00); C284(0.00)  LDD0037  [16]
ATP probe
 Probe Info  		K701(0.00); K401(0.00); K409(0.00); K605(0.00)  LDD0035  [19]
JW-RF-010
 Probe Info  		N.A.  LDD0026  [20]
Compound 10
 Probe Info  		C126(0.00); C385(0.00); C451(0.00)  LDD2216  [21]
Compound 11
 Probe Info  		C385(0.00); C451(0.00)  LDD2213  [21]
NHS
 Probe Info  		K521(0.00); K520(0.00); K370(0.00); K401(0.00)  LDD0010  [22]
SF
 Probe Info  		N.A.  LDD0028  [23]
TFBX
 Probe Info  		C385(0.00); C126(0.00)  LDD0148  [20]
Phosphinate-6
 Probe Info  		C451(0.00); C385(0.00)  LDD0018  [24]
Ox-W18
 Probe Info  		W657(0.00); W574(0.00)  LDD2175  [25]
1c-yne
 Probe Info  		K549(0.00); K628(0.00); K144(0.00); K723(0.00)  LDD0228  [15]
Acrolein
 Probe Info  		C592(0.00); H44(0.00); H673(0.00)  LDD0217  [26]
Crotonaldehyde
 Probe Info  		C385(0.00); H555(0.00); H73(0.00)  LDD0219  [26]
Methacrolein
 Probe Info  		C385(0.00); C592(0.00); C126(0.00)  LDD0218  [26]
NAIA_5
 Probe Info  		C740(0.00); C410(0.00); C592(0.00); C448(0.00)  LDD2223  [27]
HHS-465
 Probe Info  		K520(0.00); Y513(0.00); Y42(0.00)  LDD2240  [28]
PAL-AfBPP Probe
Click To Hide/Show 8 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
FFF probe3
 Probe Info  		5.04  LDD0464  [29]
FFF probe6
 Probe Info  		20.00  LDD0467  [29]
JN0003
 Probe Info  		20.00  LDD0469  [29]
STS-2
 Probe Info  		N.A.  LDD0138  [30]
VE-P
 Probe Info  		N.A.  LDD0396  [31]
Photoindomethacin
 Probe Info  		N.A.  LDD0154  [32]
DA-2
 Probe Info  		N.A.  LDD0070  [33]
STS-1
 Probe Info  		N.A.  LDD0068  [34]

Competitor(s) Related to This Target

Competitor ID Name Cell line Binding Site(Ratio) Interaction ID Ref
 LDCM0548  1-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-nitroethan-1-one MDA-MB-231 C126(0.66); C740(0.52)  LDD2142  [9]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C740(0.54)  LDD2112  [9]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C740(0.86); C592(1.26)  LDD2117  [9]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C126(1.72); C740(1.65); C385(1.23)  LDD2152  [9]
 LDCM0510  3-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-3-oxopropanenitrile MDA-MB-231 C126(1.15); C740(1.14)  LDD2103  [9]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C126(0.49)  LDD2132  [9]
 LDCM0538  4-(Cyanoacetyl)morpholine MDA-MB-231 C126(0.74)  LDD2131  [9]
 LDCM0026  4SU-RNA+native RNA HEK-293T C385(2.06)  LDD0173  [10]
 LDCM0214  AC1 HCT 116 C448(1.02); C451(1.02)  LDD0531  [12]
 LDCM0215  AC10 HCT 116 C385(1.85); C451(0.73)  LDD0532  [12]
 LDCM0216  AC100 HCT 116 C448(1.01); C451(1.01)  LDD0533  [12]
 LDCM0217  AC101 HCT 116 C448(1.07); C451(1.07)  LDD0534  [12]
 LDCM0218  AC102 HCT 116 C448(1.02); C451(1.02)  LDD0535  [12]
 LDCM0219  AC103 HCT 116 C448(1.02); C451(1.02)  LDD0536  [12]
 LDCM0220  AC104 HCT 116 C448(1.04); C451(1.04)  LDD0537  [12]
 LDCM0221  AC105 HCT 116 C448(1.07); C451(1.07)  LDD0538  [12]
 LDCM0222  AC106 HCT 116 C448(0.93); C451(0.93)  LDD0539  [12]
 LDCM0223  AC107 HCT 116 C448(0.90); C451(0.90)  LDD0540  [12]
 LDCM0224  AC108 HCT 116 C448(0.92); C451(0.92)  LDD0541  [12]
 LDCM0225  AC109 HCT 116 C448(0.94); C451(0.94)  LDD0542  [12]
 LDCM0226  AC11 HCT 116 C385(0.80); C451(0.66)  LDD0543  [12]
 LDCM0227  AC110 HCT 116 C448(1.02); C451(1.02)  LDD0544  [12]
 LDCM0228  AC111 HCT 116 C448(1.07); C451(1.07)  LDD0545  [12]
 LDCM0229  AC112 HCT 116 C448(1.06); C451(1.06)  LDD0546  [12]
 LDCM0230  AC113 HEK-293T C385(1.30); C448(1.30)  LDD0828  [12]
 LDCM0231  AC114 HEK-293T C385(1.23); C448(1.23)  LDD0829  [12]
 LDCM0232  AC115 HEK-293T C385(1.09); C448(1.09)  LDD0830  [12]
 LDCM0233  AC116 HEK-293T C385(1.06); C448(1.06)  LDD0831  [12]
 LDCM0234  AC117 HEK-293T C385(1.07); C448(1.07)  LDD0832  [12]
 LDCM0235  AC118 HEK-293T C385(0.96); C448(0.96)  LDD0833  [12]
 LDCM0236  AC119 HEK-293T C385(0.84); C448(0.84)  LDD0834  [12]
 LDCM0237  AC12 HCT 116 C385(0.74); C451(0.79)  LDD0554  [12]
 LDCM0238  AC120 HEK-293T C385(1.07); C448(1.07)  LDD0836  [12]
 LDCM0239  AC121 HEK-293T C385(0.94); C448(0.94)  LDD0837  [12]
 LDCM0240  AC122 HEK-293T C385(1.08); C448(1.08)  LDD0838  [12]
 LDCM0241  AC123 HEK-293T C385(0.95); C448(0.95)  LDD0839  [12]
 LDCM0242  AC124 HEK-293T C385(0.83); C448(0.83)  LDD0840  [12]
 LDCM0243  AC125 HEK-293T C385(0.81); C448(0.81)  LDD0841  [12]
 LDCM0244  AC126 HEK-293T C385(0.83); C448(0.83)  LDD0842  [12]
 LDCM0245  AC127 HEK-293T C385(0.76); C448(0.76)  LDD0843  [12]
 LDCM0246  AC128 HCT 116 C385(0.99); C448(0.85); C451(0.85)  LDD0563  [12]
 LDCM0247  AC129 HCT 116 C385(1.03); C448(1.33); C451(1.33)  LDD0564  [12]
 LDCM0249  AC130 HCT 116 C385(1.24); C448(1.22); C451(1.22)  LDD0566  [12]
 LDCM0250  AC131 HCT 116 C385(1.16); C448(1.35); C451(1.35)  LDD0567  [12]
 LDCM0251  AC132 HCT 116 C385(1.27); C448(0.79); C451(0.79)  LDD0568  [12]
 LDCM0252  AC133 HCT 116 C385(1.26); C448(0.95); C451(0.95)  LDD0569  [12]
 LDCM0253  AC134 HCT 116 C385(1.18); C448(0.95); C451(0.95)  LDD0570  [12]
 LDCM0254  AC135 HCT 116 C385(1.11); C448(0.73); C451(0.73)  LDD0571  [12]
 LDCM0255  AC136 HCT 116 C385(1.18); C448(0.75); C451(0.75)  LDD0572  [12]
 LDCM0256  AC137 HCT 116 C385(1.18); C448(0.74); C451(0.74)  LDD0573  [12]
 LDCM0257  AC138 HCT 116 C385(1.09); C448(0.68); C451(0.68)  LDD0574  [12]
 LDCM0258  AC139 HCT 116 C385(1.35); C448(0.94); C451(0.94)  LDD0575  [12]
 LDCM0259  AC14 HCT 116 C385(0.75); C451(0.59)  LDD0576  [12]
 LDCM0260  AC140 HCT 116 C385(1.38); C448(0.80); C451(0.80)  LDD0577  [12]
 LDCM0261  AC141 HCT 116 C385(1.30); C448(0.74); C451(0.74)  LDD0578  [12]
 LDCM0262  AC142 HCT 116 C385(1.11); C448(0.61); C451(0.61)  LDD0579  [12]
 LDCM0263  AC143 HEK-293T C448(1.22)  LDD0861  [12]
 LDCM0264  AC144 HEK-293T C448(1.33)  LDD0862  [12]
 LDCM0265  AC145 HEK-293T C448(1.26)  LDD0863  [12]
 LDCM0266  AC146 HEK-293T C448(1.15)  LDD0864  [12]
 LDCM0267  AC147 HEK-293T C448(1.00)  LDD0865  [12]
 LDCM0268  AC148 HEK-293T C448(0.83)  LDD0866  [12]
 LDCM0269  AC149 HEK-293T C448(1.13)  LDD0867  [12]
 LDCM0270  AC15 HCT 116 C451(0.95); C385(1.51)  LDD0587  [12]
 LDCM0271  AC150 HEK-293T C448(1.08)  LDD0869  [12]
 LDCM0272  AC151 HEK-293T C448(1.10)  LDD0870  [12]
 LDCM0273  AC152 HEK-293T C448(0.88)  LDD0871  [12]
 LDCM0274  AC153 HEK-293T C448(1.20)  LDD0872  [12]
 LDCM0621  AC154 HEK-293T C448(0.95)  LDD2162  [12]
 LDCM0622  AC155 HEK-293T C448(1.25)  LDD2163  [12]
 LDCM0623  AC156 HEK-293T C448(1.34)  LDD2164  [12]
 LDCM0624  AC157 HEK-293T C448(1.26)  LDD2165  [12]
 LDCM0276  AC17 HCT 116 C451(1.66); C448(1.85)  LDD0593  [12]
 LDCM0277  AC18 HCT 116 C451(1.03); C448(1.22)  LDD0594  [12]
 LDCM0278  AC19 HCT 116 C451(1.73); C448(2.15)  LDD0595  [12]
 LDCM0279  AC2 HCT 116 C448(0.81); C451(0.81)  LDD0596  [12]
 LDCM0280  AC20 HCT 116 C451(1.54); C448(1.95)  LDD0597  [12]
 LDCM0281  AC21 HCT 116 C451(1.12); C448(1.26)  LDD0598  [12]
 LDCM0282  AC22 HCT 116 C451(1.29); C448(1.48)  LDD0599  [12]
 LDCM0283  AC23 HCT 116 C451(1.22); C448(1.59)  LDD0600  [12]
 LDCM0284  AC24 HCT 116 C451(1.55); C448(1.97)  LDD0601  [12]
 LDCM0285  AC25 HCT 116 C385(0.73); C451(1.32)  LDD0602  [12]
 LDCM0286  AC26 HCT 116 C385(0.92); C451(1.11)  LDD0603  [12]
 LDCM0287  AC27 HCT 116 C385(1.06); C451(1.65)  LDD0604  [12]
 LDCM0288  AC28 HCT 116 C385(0.94); C451(1.46)  LDD0605  [12]
 LDCM0289  AC29 HCT 116 C385(0.92); C451(1.40)  LDD0606  [12]
 LDCM0290  AC3 HCT 116 C448(0.68); C451(0.68)  LDD0607  [12]
 LDCM0291  AC30 HCT 116 C385(0.80); C451(1.40)  LDD0608  [12]
 LDCM0292  AC31 HCT 116 C385(0.97); C451(1.44)  LDD0609  [12]
 LDCM0293  AC32 HCT 116 C385(0.87); C451(1.65)  LDD0610  [12]
 LDCM0294  AC33 HCT 116 C385(1.09); C451(1.42)  LDD0611  [12]
 LDCM0295  AC34 HCT 116 C385(1.12); C451(1.60)  LDD0612  [12]
 LDCM0296  AC35 HCT 116 C451(0.66)  LDD0613  [12]
 LDCM0297  AC36 HCT 116 C451(0.85)  LDD0614  [12]
 LDCM0298  AC37 HCT 116 C451(0.78)  LDD0615  [12]
 LDCM0299  AC38 HCT 116 C451(0.79)  LDD0616  [12]
 LDCM0300  AC39 HCT 116 C451(0.71)  LDD0617  [12]
 LDCM0301  AC4 HCT 116 C448(0.87); C451(0.87)  LDD0618  [12]
 LDCM0302  AC40 HCT 116 C451(0.78)  LDD0619  [12]
 LDCM0303  AC41 HCT 116 C451(0.70)  LDD0620  [12]
 LDCM0304  AC42 HCT 116 C451(0.78)  LDD0621  [12]
 LDCM0305  AC43 HCT 116 C451(0.81)  LDD0622  [12]
 LDCM0306  AC44 HCT 116 C451(0.69)  LDD0623  [12]
 LDCM0307  AC45 HCT 116 C451(0.88)  LDD0624  [12]
 LDCM0308  AC46 HEK-293T C385(0.95); C448(0.70)  LDD0906  [12]
 LDCM0309  AC47 HEK-293T C385(0.83); C448(0.78)  LDD0907  [12]
 LDCM0310  AC48 HEK-293T C385(0.89); C448(0.93)  LDD0908  [12]
 LDCM0311  AC49 HEK-293T C385(1.00); C448(0.99)  LDD0909  [12]
 LDCM0312  AC5 HCT 116 C448(0.57); C451(0.57)  LDD0629  [12]
 LDCM0313  AC50 HEK-293T C385(0.93); C448(0.94)  LDD0911  [12]
 LDCM0314  AC51 HEK-293T C385(0.85); C448(0.87)  LDD0912  [12]
 LDCM0315  AC52 HEK-293T C385(0.86); C448(0.98)  LDD0913  [12]
 LDCM0316  AC53 HEK-293T C385(1.21); C448(0.97)  LDD0914  [12]
 LDCM0317  AC54 HEK-293T C385(0.80); C448(0.78)  LDD0915  [12]
 LDCM0318  AC55 HEK-293T C385(0.88); C448(0.89)  LDD0916  [12]
 LDCM0319  AC56 HEK-293T C385(0.87); C448(0.86)  LDD0917  [12]
 LDCM0320  AC57 HCT 116 C448(1.04); C451(1.04); C385(1.34)  LDD0637  [12]
 LDCM0321  AC58 HCT 116 C448(0.96); C451(0.96); C385(1.21)  LDD0638  [12]
 LDCM0322  AC59 HCT 116 C448(1.30); C451(1.30); C385(1.45)  LDD0639  [12]
 LDCM0323  AC6 HCT 116 C451(0.86); C385(1.57)  LDD0640  [12]
 LDCM0324  AC60 HCT 116 C448(1.30); C451(1.30); C385(1.65)  LDD0641  [12]
 LDCM0325  AC61 HCT 116 C448(1.05); C451(1.05); C385(1.40)  LDD0642  [12]
 LDCM0326  AC62 HCT 116 C385(1.17); C448(1.36); C451(1.36)  LDD0643  [12]
 LDCM0327  AC63 HCT 116 C385(1.23); C448(1.50); C451(1.50)  LDD0644  [12]
 LDCM0328  AC64 HCT 116 C448(1.31); C451(1.31); C385(1.44)  LDD0645  [12]
 LDCM0329  AC65 HCT 116 C448(1.38); C451(1.38); C385(1.87)  LDD0646  [12]
 LDCM0330  AC66 HCT 116 C448(1.21); C451(1.21); C385(1.84)  LDD0647  [12]
 LDCM0331  AC67 HCT 116 C385(0.48); C448(1.43); C451(1.43)  LDD0648  [12]
 LDCM0332  AC68 HCT 116 C448(1.01); C451(1.01)  LDD0649  [12]
 LDCM0333  AC69 HCT 116 C448(0.90); C451(0.90)  LDD0650  [12]
 LDCM0334  AC7 HCT 116 C451(0.75); C385(1.03)  LDD0651  [12]
 LDCM0335  AC70 HCT 116 C448(1.21); C451(1.21)  LDD0652  [12]
 LDCM0336  AC71 HCT 116 C448(0.76); C451(0.76)  LDD0653  [12]
 LDCM0337  AC72 HCT 116 C448(1.16); C451(1.16)  LDD0654  [12]
 LDCM0338  AC73 HCT 116 C448(1.06); C451(1.06)  LDD0655  [12]
 LDCM0339  AC74 HCT 116 C448(0.96); C451(0.96)  LDD0656  [12]
 LDCM0340  AC75 HCT 116 C448(0.99); C451(0.99)  LDD0657  [12]
 LDCM0341  AC76 HCT 116 C448(0.76); C451(0.76)  LDD0658  [12]
 LDCM0342  AC77 HCT 116 C448(0.89); C451(0.89)  LDD0659  [12]
 LDCM0343  AC78 HCT 116 C448(0.80); C451(0.80)  LDD0660  [12]
 LDCM0344  AC79 HCT 116 C448(1.02); C451(1.02)  LDD0661  [12]
 LDCM0345  AC8 HCT 116 C451(0.72); C385(0.86)  LDD0662  [12]
 LDCM0346  AC80 HCT 116 C448(0.85); C451(0.85)  LDD0663  [12]
 LDCM0347  AC81 HCT 116 C448(1.12); C451(1.12)  LDD0664  [12]
 LDCM0348  AC82 HCT 116 C448(0.81); C451(0.81)  LDD0665  [12]
 LDCM0349  AC83 HCT 116 C451(1.24); C385(1.45)  LDD0666  [12]
 LDCM0350  AC84 HCT 116 C385(1.08); C451(1.18)  LDD0667  [12]
 LDCM0351  AC85 HCT 116 C451(0.95); C385(1.47)  LDD0668  [12]
 LDCM0352  AC86 HCT 116 C451(1.18); C385(1.43)  LDD0669  [12]
 LDCM0353  AC87 HCT 116 C451(1.20); C385(1.48)  LDD0670  [12]
 LDCM0354  AC88 HCT 116 C385(1.03); C451(1.23)  LDD0671  [12]
 LDCM0355  AC89 HCT 116 C451(1.09); C385(1.31)  LDD0672  [12]
 LDCM0357  AC90 HCT 116 C451(1.42); C385(1.69)  LDD0674  [12]
 LDCM0358  AC91 HCT 116 C385(1.02); C451(1.06)  LDD0675  [12]
 LDCM0359  AC92 HCT 116 C451(0.93); C385(1.21)  LDD0676  [12]
 LDCM0360  AC93 HCT 116 C451(1.03); C385(1.32)  LDD0677  [12]
 LDCM0361  AC94 HCT 116 C451(0.65); C385(0.92)  LDD0678  [12]
 LDCM0362  AC95 HCT 116 C385(1.10); C451(1.11)  LDD0679  [12]
 LDCM0363  AC96 HCT 116 C385(0.92); C451(1.28)  LDD0680  [12]
 LDCM0364  AC97 HCT 116 C451(1.35); C385(1.36)  LDD0681  [12]
 LDCM0365  AC98 HCT 116 C448(0.51); C451(0.51)  LDD0682  [12]
 LDCM0366  AC99 HCT 116 C448(0.96); C451(0.96)  LDD0683  [12]
 LDCM0545  Acetamide MDA-MB-231 C126(0.59)  LDD2138  [9]
 LDCM0166  Afatinib A431 10.00  LDD0422  [8]
 LDCM0248  AKOS034007472 HCT 116 C385(0.70); C451(0.72)  LDD0565  [12]
 LDCM0356  AKOS034007680 HCT 116 C385(1.06); C451(1.12)  LDD0673  [12]
 LDCM0275  AKOS034007705 HCT 116 C451(0.85); C385(1.51)  LDD0592  [12]
 LDCM0020  ARS-1620 HCC44 C448(1.16); C451(1.16)  LDD2171  [12]
 LDCM0108  Chloroacetamide HeLa C385(0.00); C126(0.00); H44(0.00); H673(0.00)  LDD0222  [26]
 LDCM0367  CL1 HCT 116 C451(0.81)  LDD0684  [12]
 LDCM0368  CL10 HCT 116 C451(0.86)  LDD0685  [12]
 LDCM0369  CL100 HCT 116 C448(0.79); C451(0.79)  LDD0686  [12]
 LDCM0370  CL101 HCT 116 C451(0.61); C385(1.01)  LDD0687  [12]
 LDCM0371  CL102 HCT 116 C451(0.62); C385(0.74)  LDD0688  [12]
 LDCM0372  CL103 HCT 116 C451(0.68); C385(0.78)  LDD0689  [12]
 LDCM0373  CL104 HCT 116 C385(0.90); C451(0.98)  LDD0690  [12]
 LDCM0374  CL105 HCT 116 C451(1.06); C448(1.40)  LDD0691  [12]
 LDCM0375  CL106 HCT 116 C451(1.24); C448(1.37)  LDD0692  [12]
 LDCM0376  CL107 HCT 116 C451(0.95); C448(1.08)  LDD0693  [12]
 LDCM0377  CL108 HCT 116 C451(1.00); C448(1.14)  LDD0694  [12]
 LDCM0378  CL109 HCT 116 C451(1.41); C448(1.83)  LDD0695  [12]
 LDCM0379  CL11 HCT 116 C451(0.88)  LDD0696  [12]
 LDCM0380  CL110 HCT 116 C451(1.45); C448(2.00)  LDD0697  [12]
 LDCM0381  CL111 HCT 116 C451(1.35); C448(1.74)  LDD0698  [12]
 LDCM0382  CL112 HCT 116 C385(0.63); C451(0.90)  LDD0699  [12]
 LDCM0383  CL113 HCT 116 C385(0.80); C451(1.45)  LDD0700  [12]
 LDCM0384  CL114 HCT 116 C385(0.89); C451(1.20)  LDD0701  [12]
 LDCM0385  CL115 HCT 116 C385(1.01); C451(1.24)  LDD0702  [12]
 LDCM0386  CL116 HCT 116 C385(1.15); C451(1.18)  LDD0703  [12]
 LDCM0387  CL117 HCT 116 C451(0.61)  LDD0704  [12]
 LDCM0388  CL118 HCT 116 C451(0.78)  LDD0705  [12]
 LDCM0389  CL119 HCT 116 C451(0.85)  LDD0706  [12]
 LDCM0390  CL12 HCT 116 C451(1.30)  LDD0707  [12]
 LDCM0391  CL120 HCT 116 C451(0.64)  LDD0708  [12]
 LDCM0392  CL121 HEK-293T C385(0.83); C448(0.80)  LDD0990  [12]
 LDCM0393  CL122 HEK-293T C385(0.93); C448(0.84)  LDD0991  [12]
 LDCM0394  CL123 HEK-293T C385(0.87); C448(0.72)  LDD0992  [12]
 LDCM0395  CL124 HEK-293T C385(0.98); C448(0.87)  LDD0993  [12]
 LDCM0396  CL125 HCT 116 C448(1.15); C451(1.15); C385(1.23)  LDD0713  [12]
 LDCM0397  CL126 HCT 116 C448(1.03); C451(1.03); C385(1.28)  LDD0714  [12]
 LDCM0398  CL127 HCT 116 C448(1.17); C451(1.17); C385(1.44)  LDD0715  [12]
 LDCM0399  CL128 HCT 116 C448(1.07); C451(1.07); C385(1.12)  LDD0716  [12]
 LDCM0400  CL13 HCT 116 C451(0.97)  LDD0717  [12]
 LDCM0401  CL14 HCT 116 C451(0.99)  LDD0718  [12]
 LDCM0402  CL15 HCT 116 C451(0.95)  LDD0719  [12]
 LDCM0403  CL16 HCT 116 C448(0.97); C451(0.97); C385(1.43)  LDD0720  [12]
 LDCM0404  CL17 HCT 116 C448(0.97); C451(0.97); C385(1.22)  LDD0721  [12]
 LDCM0405  CL18 HCT 116 C448(1.24); C451(1.24); C385(1.49)  LDD0722  [12]
 LDCM0406  CL19 HCT 116 C448(1.06); C451(1.06); C385(1.25)  LDD0723  [12]
 LDCM0407  CL2 HCT 116 C451(1.07)  LDD0724  [12]
 LDCM0408  CL20 HCT 116 C448(1.11); C451(1.11); C385(1.28)  LDD0725  [12]
 LDCM0409  CL21 HCT 116 C448(0.95); C451(0.95); C385(1.59)  LDD0726  [12]
 LDCM0410  CL22 HCT 116 C448(0.32); C451(0.32); C385(0.63)  LDD0727  [12]
 LDCM0411  CL23 HCT 116 C448(1.06); C451(1.06); C385(1.60)  LDD0728  [12]
 LDCM0412  CL24 HCT 116 C448(0.95); C451(0.95); C385(1.06)  LDD0729  [12]
 LDCM0413  CL25 HCT 116 C385(1.96); C448(0.94); C451(0.94)  LDD0730  [12]
 LDCM0414  CL26 HCT 116 C385(1.50); C448(1.18); C451(1.18)  LDD0731  [12]
 LDCM0415  CL27 HCT 116 C385(1.34); C448(0.99); C451(0.99)  LDD0732  [12]
 LDCM0416  CL28 HCT 116 C385(1.54); C448(0.97); C451(0.97)  LDD0733  [12]
 LDCM0417  CL29 HCT 116 C385(1.56); C448(0.86); C451(0.86)  LDD0734  [12]
 LDCM0418  CL3 HCT 116 C451(0.79)  LDD0735  [12]
 LDCM0419  CL30 HCT 116 C385(1.14); C448(1.01); C451(1.01)  LDD0736  [12]
 LDCM0420  CL31 HCT 116 C385(0.66); C448(1.55); C451(1.55)  LDD0737  [12]
 LDCM0421  CL32 HCT 116 C385(0.73); C448(1.38); C451(1.38)  LDD0738  [12]
 LDCM0422  CL33 HCT 116 C385(0.82); C448(1.82); C451(1.82)  LDD0739  [12]
 LDCM0423  CL34 HCT 116 C385(0.90); C448(1.10); C451(1.10)  LDD0740  [12]
 LDCM0424  CL35 HCT 116 C385(1.02); C448(1.77); C451(1.77)  LDD0741  [12]
 LDCM0425  CL36 HCT 116 C385(0.81); C448(1.45); C451(1.45)  LDD0742  [12]
 LDCM0426  CL37 HCT 116 C385(0.87); C448(1.67); C451(1.67)  LDD0743  [12]
 LDCM0428  CL39 HCT 116 C385(0.70); C448(1.16); C451(1.16)  LDD0745  [12]
 LDCM0429  CL4 HCT 116 C451(0.93)  LDD0746  [12]
 LDCM0430  CL40 HCT 116 C385(0.59); C448(1.40); C451(1.40)  LDD0747  [12]
 LDCM0431  CL41 HCT 116 C385(0.75); C448(1.52); C451(1.52)  LDD0748  [12]
 LDCM0432  CL42 HCT 116 C385(0.75); C448(0.30); C451(0.30)  LDD0749  [12]
 LDCM0433  CL43 HCT 116 C385(0.75); C448(1.33); C451(1.33)  LDD0750  [12]
 LDCM0434  CL44 HCT 116 C385(0.76); C448(2.40); C451(2.40)  LDD0751  [12]
 LDCM0435  CL45 HCT 116 C385(0.82); C448(1.22); C451(1.22)  LDD0752  [12]
 LDCM0436  CL46 HCT 116 C385(1.04); C448(1.41); C451(1.41)  LDD0753  [12]
 LDCM0437  CL47 HCT 116 C385(0.96); C448(1.30); C451(1.30)  LDD0754  [12]
 LDCM0438  CL48 HCT 116 C385(1.24); C448(1.81); C451(1.81)  LDD0755  [12]
 LDCM0439  CL49 HCT 116 C385(1.09); C448(1.52); C451(1.52)  LDD0756  [12]
 LDCM0440  CL5 HCT 116 C451(1.42)  LDD0757  [12]
 LDCM0441  CL50 HCT 116 C385(1.07); C448(1.23); C451(1.23)  LDD0758  [12]
 LDCM0442  CL51 HCT 116 C385(0.87); C448(1.12); C451(1.12)  LDD0759  [12]
 LDCM0443  CL52 HCT 116 C385(0.88); C448(1.22); C451(1.22)  LDD0760  [12]
 LDCM0444  CL53 HCT 116 C385(0.90); C448(1.90); C451(1.90)  LDD0761  [12]
 LDCM0445  CL54 HCT 116 C385(0.91); C448(1.36); C451(1.36)  LDD0762  [12]
 LDCM0446  CL55 HCT 116 C385(1.02); C448(1.47); C451(1.47)  LDD0763  [12]
 LDCM0447  CL56 HCT 116 C385(0.80); C448(1.33); C451(1.33)  LDD0764  [12]
 LDCM0448  CL57 HCT 116 C385(0.82); C448(1.27); C451(1.27)  LDD0765  [12]
 LDCM0449  CL58 HCT 116 C385(1.00); C448(1.40); C451(1.40)  LDD0766  [12]
 LDCM0450  CL59 HCT 116 C385(0.87); C448(1.32); C451(1.32)  LDD0767  [12]
 LDCM0451  CL6 HCT 116 C451(0.97)  LDD0768  [12]
 LDCM0452  CL60 HCT 116 C385(0.87); C448(1.58); C451(1.58)  LDD0769  [12]
 LDCM0453  CL61 HCT 116 C448(0.79); C451(0.79)  LDD0770  [12]
 LDCM0454  CL62 HCT 116 C448(0.99); C451(0.99)  LDD0771  [12]
 LDCM0455  CL63 HCT 116 C448(0.72); C451(0.72)  LDD0772  [12]
 LDCM0456  CL64 HCT 116 C448(0.93); C451(0.93)  LDD0773  [12]
 LDCM0457  CL65 HCT 116 C448(0.84); C451(0.84)  LDD0774  [12]
 LDCM0458  CL66 HCT 116 C448(0.89); C451(0.89)  LDD0775  [12]
 LDCM0459  CL67 HCT 116 C448(1.06); C451(1.06)  LDD0776  [12]
 LDCM0460  CL68 HCT 116 C448(0.81); C451(0.81)  LDD0777  [12]
 LDCM0461  CL69 HCT 116 C448(0.96); C451(0.96)  LDD0778  [12]
 LDCM0462  CL7 HCT 116 C451(1.07)  LDD0779  [12]
 LDCM0463  CL70 HCT 116 C448(0.98); C451(0.98)  LDD0780  [12]
 LDCM0464  CL71 HCT 116 C448(0.79); C451(0.79)  LDD0781  [12]
 LDCM0465  CL72 HCT 116 C448(0.78); C451(0.78)  LDD0782  [12]
 LDCM0466  CL73 HCT 116 C448(0.87); C451(0.87)  LDD0783  [12]
 LDCM0467  CL74 HCT 116 C448(0.92); C451(0.92)  LDD0784  [12]
 LDCM0469  CL76 HCT 116 C448(0.90); C451(0.90)  LDD0786  [12]
 LDCM0470  CL77 HCT 116 C448(0.88); C451(0.88)  LDD0787  [12]
 LDCM0471  CL78 HCT 116 C448(0.88); C451(0.88)  LDD0788  [12]
 LDCM0472  CL79 HCT 116 C448(1.08); C451(1.08)  LDD0789  [12]
 LDCM0473  CL8 HCT 116 C451(1.26)  LDD0790  [12]
 LDCM0474  CL80 HCT 116 C448(0.87); C451(0.87)  LDD0791  [12]
 LDCM0475  CL81 HCT 116 C448(0.86); C451(0.86)  LDD0792  [12]
 LDCM0476  CL82 HCT 116 C448(0.96); C451(0.96)  LDD0793  [12]
 LDCM0477  CL83 HCT 116 C448(0.88); C451(0.88)  LDD0794  [12]
 LDCM0478  CL84 HCT 116 C448(0.88); C451(0.88)  LDD0795  [12]
 LDCM0479  CL85 HCT 116 C448(0.92); C451(0.92)  LDD0796  [12]
 LDCM0480  CL86 HCT 116 C448(0.78); C451(0.78)  LDD0797  [12]
 LDCM0481  CL87 HCT 116 C448(0.95); C451(0.95)  LDD0798  [12]
 LDCM0482  CL88 HCT 116 C448(0.92); C451(0.92)  LDD0799  [12]
 LDCM0483  CL89 HCT 116 C448(0.89); C451(0.89)  LDD0800  [12]
 LDCM0484  CL9 HCT 116 C451(1.19)  LDD0801  [12]
 LDCM0485  CL90 HCT 116 C448(0.88); C451(0.88)  LDD0802  [12]
 LDCM0486  CL91 HCT 116 C448(0.95); C451(0.95)  LDD0803  [12]
 LDCM0487  CL92 HCT 116 C448(0.63); C451(0.63)  LDD0804  [12]
 LDCM0488  CL93 HCT 116 C448(0.89); C451(0.89)  LDD0805  [12]
 LDCM0489  CL94 HCT 116 C448(0.78); C451(0.78)  LDD0806  [12]
 LDCM0490  CL95 HCT 116 C448(0.62); C451(0.62)  LDD0807  [12]
 LDCM0491  CL96 HCT 116 C448(0.63); C451(0.63)  LDD0808  [12]
 LDCM0492  CL97 HCT 116 C448(0.91); C451(0.91)  LDD0809  [12]
 LDCM0493  CL98 HCT 116 C448(1.05); C451(1.05)  LDD0810  [12]
 LDCM0494  CL99 HCT 116 C448(0.78); C451(0.78)  LDD0811  [12]
 LDCM0495  E2913 HEK-293T C592(1.07); C385(0.85); C126(0.89); C451(1.07)  LDD1698  [35]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C592(1.25)  LDD1702  [9]
 LDCM0625  F8 Ramos C385(0.81)  LDD2187  [36]
 LDCM0572  Fragment10 MDA-MB-231 C385(0.73)  LDD1465  [37]
 LDCM0574  Fragment12 Ramos C385(0.72)  LDD2191  [36]
 LDCM0575  Fragment13 MDA-MB-231 C385(2.01)  LDD1395  [37]
 LDCM0576  Fragment14 Ramos C385(1.36)  LDD2193  [36]
 LDCM0579  Fragment20 MDA-MB-231 C385(6.94)  LDD1402  [37]
 LDCM0580  Fragment21 MDA-MB-231 C385(1.96)  LDD1473  [37]
 LDCM0582  Fragment23 Ramos C385(0.75)  LDD2196  [36]
 LDCM0584  Fragment25 MDA-MB-231 C385(0.97)  LDD1411  [37]
 LDCM0578  Fragment27 MDA-MB-231 C385(0.88)  LDD1401  [37]
 LDCM0588  Fragment30 Ramos C385(1.62)  LDD2199  [36]
 LDCM0589  Fragment31 MDA-MB-231 C385(1.25)  LDD1421  [37]
 LDCM0590  Fragment32 Ramos C385(0.70)  LDD2201  [36]
 LDCM0468  Fragment33 HCT 116 C448(0.77); C451(0.77)  LDD0785  [12]
 LDCM0596  Fragment38 Ramos C385(0.49)  LDD2203  [36]
 LDCM0566  Fragment4 MDA-MB-231 C385(1.20)  LDD1378  [37]
 LDCM0599  Fragment41 MDA-MB-231 C385(0.13)  LDD1481  [37]
 LDCM0601  Fragment43 MDA-MB-231 C385(0.98)  LDD1441  [37]
 LDCM0427  Fragment51 HCT 116 C385(0.53); C448(0.58); C451(0.58)  LDD0744  [12]
 LDCM0614  Fragment56 MDA-MB-231 C385(1.08)  LDD1458  [37]
 LDCM0569  Fragment7 Ramos C385(0.46)  LDD2186  [36]
 LDCM0570  Fragment8 MDA-MB-231 C385(1.01)  LDD1385  [37]
 LDCM0571  Fragment9 Ramos C385(0.56)  LDD2188  [36]
 LDCM0116  HHS-0101 DM93 Y513(1.03)  LDD0264  [11]
 LDCM0117  HHS-0201 DM93 Y513(0.88)  LDD0265  [11]
 LDCM0118  HHS-0301 DM93 Y513(1.49)  LDD0266  [11]
 LDCM0119  HHS-0401 DM93 Y513(1.08)  LDD0267  [11]
 LDCM0120  HHS-0701 DM93 Y513(1.22)  LDD0268  [11]
 LDCM0107  IAA HeLa C126(0.00); H73(0.00); H673(0.00); H44(0.00)  LDD0221  [26]
 LDCM0022  KB02 HCT 116 C448(5.21); C451(2.33); C385(2.03)  LDD0080  [12]
 LDCM0023  KB03 HCT 116 C448(3.70); C451(2.00); C385(1.86)  LDD0081  [12]
 LDCM0024  KB05 HCT 116 C448(3.83); C451(2.00); C385(1.70)  LDD0082  [12]
 LDCM0509  N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide MDA-MB-231 C740(1.06)  LDD2102  [9]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C126(1.22)  LDD2121  [9]
 LDCM0109  NEM HeLa H555(0.00); H673(0.00); H44(0.00); H695(0.00)  LDD0223  [26]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C126(1.04)  LDD2089  [9]
 LDCM0497  Nucleophilic fragment 11b MDA-MB-231 C126(1.14)  LDD2090  [9]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C126(1.23)  LDD2092  [9]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C126(1.07); C740(0.89)  LDD2093  [9]
 LDCM0503  Nucleophilic fragment 14b MDA-MB-231 C740(0.20); C410(0.60)  LDD2096  [9]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C740(0.84); C592(0.48)  LDD2097  [9]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C126(0.99)  LDD2098  [9]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C126(1.31); C740(1.05); C592(1.05)  LDD2099  [9]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C126(0.54); C740(0.40)  LDD2100  [9]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C126(0.39); C740(0.41)  LDD2104  [9]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C126(1.29); C740(2.70)  LDD2105  [9]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C126(0.55); C740(0.62)  LDD2106  [9]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C126(1.10); C740(0.95)  LDD2107  [9]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C126(0.95)  LDD2108  [9]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C126(0.95); C740(0.42); C592(0.80)  LDD2109  [9]
 LDCM0517  Nucleophilic fragment 21b MDA-MB-231 C126(0.91); C740(0.58)  LDD2110  [9]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C126(1.31); C740(0.83)  LDD2111  [9]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C126(0.68); C740(0.46)  LDD2114  [9]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C126(0.64)  LDD2115  [9]
 LDCM0523  Nucleophilic fragment 24b MDA-MB-231 C126(0.45); C740(0.48)  LDD2116  [9]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C740(0.45)  LDD2118  [9]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C126(1.71)  LDD2119  [9]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C740(0.72)  LDD2120  [9]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C126(0.28); C410(1.72)  LDD2122  [9]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C126(1.00); C740(0.74)  LDD2123  [9]
 LDCM0531  Nucleophilic fragment 28b MDA-MB-231 C126(0.37); C740(0.45)  LDD2124  [9]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C126(0.94); C740(0.74)  LDD2125  [9]
 LDCM0533  Nucleophilic fragment 29b MDA-MB-231 C126(0.47); C740(0.36)  LDD2126  [9]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C740(0.88)  LDD2127  [9]
 LDCM0535  Nucleophilic fragment 30b MDA-MB-231 C126(0.95)  LDD2128  [9]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C126(1.09); C740(0.97)  LDD2129  [9]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C126(1.22); C740(1.86)  LDD2135  [9]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C126(1.58); C740(0.88); C592(1.30)  LDD2136  [9]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C740(0.92); C592(1.01)  LDD2137  [9]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C126(1.03); C385(0.93)  LDD2140  [9]
 LDCM0549  Nucleophilic fragment 43 MDA-MB-231 C740(0.93)  LDD2143  [9]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C126(2.87); C740(2.20); C385(2.39)  LDD2144  [9]
 LDCM0553  Nucleophilic fragment 6b MDA-MB-231 C126(1.74)  LDD2147  [9]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C126(0.54)  LDD2148  [9]
 LDCM0555  Nucleophilic fragment 7b MDA-MB-231 C126(0.39); C740(0.32)  LDD2149  [9]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C126(0.88)  LDD2150  [9]
 LDCM0557  Nucleophilic fragment 8b MDA-MB-231 C126(0.35); C740(0.37)  LDD2151  [9]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C126(1.76)  LDD2153  [9]
 LDCM0021  THZ1 HCT 116 C448(1.16); C451(1.16)  LDD2173  [12]

The Interaction Atlas With This Target

The Drug(s) Related To This Target

Investigative
Click To Hide/Show 6 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
4-hydroxy-aconitate Ion Small molecular drug D02UII
Aconitate Ion Small molecular drug D00UFR
Alpha-methylisocitric Acid Small molecular drug D01EVI
Isocitric Acid Small molecular drug D0R6GQ
Tricarballylic Acid Small molecular drug D08ZAO
Tricarballylic Acid Small molecular drug DB04562

References

1 2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases. J Am Chem Soc. 2023 Feb 12. doi: 10.1021/jacs.2c11595. Online ahead of print.
Mass spectrometry data entry: PXD037665
2 Cyclopropenone, Cyclopropeniminium Ion, and Cyclopropenethione as Novel Electrophilic Warheads for Potential Target Discovery of Triple-Negative Breast Cancer. J Med Chem. 2023 Feb 23;66(4):2851-2864. doi: 10.1021/acs.jmedchem.2c01889. Epub 2023 Feb 10.
3 Chemoproteomic profiling of kinases in live cells using electrophilic sulfonyl triazole probes. Chem Sci. 2021 Jan 21;12(9):3295-3307. doi: 10.1039/d0sc06623k.
4 Ynamide Electrophile for the Profiling of Ligandable Carboxyl Residues in Live Cells and the Development of New Covalent Inhibitors. J Med Chem. 2022 Aug 11;65(15):10408-10418. doi: 10.1021/acs.jmedchem.2c00272. Epub 2022 Jul 26.
5 A Paal-Knorr agent for chemoproteomic profiling of targets of isoketals in cells. Chem Sci. 2021 Oct 15;12(43):14557-14563. doi: 10.1039/d1sc02230j. eCollection 2021 Nov 10.
Mass spectrometry data entry: PXD028270
6 Oxidant-Induced Bioconjugation for Protein Labeling in Live Cells. ACS Chem Biol. 2023 Jan 20;18(1):112-122. doi: 10.1021/acschembio.2c00740. Epub 2022 Dec 21.
7 An Azo Coupling-Based Chemoproteomic Approach to Systematically Profile the Tyrosine Reactivity in the Human Proteome. Anal Chem. 2021 Jul 27;93(29):10334-10342. doi: 10.1021/acs.analchem.1c01935. Epub 2021 Jul 12.
8 Minimalist linkers suitable for irreversible inhibitors in simultaneous proteome profiling, live-cell imaging and drug screening. Chem Commun (Camb). 2019 Jan 15;55(6):834-837. doi: 10.1039/c8cc08685k.
9 Nucleophilic covalent ligand discovery for the cysteine redoxome. Nat Chem Biol. 2023 Nov;19(11):1309-1319. doi: 10.1038/s41589-023-01330-5. Epub 2023 May 29.
Mass spectrometry data entry: PXD039908 , PXD029761
10 Chemoproteomic capture of RNA binding activity in living cells. Nat Commun. 2023 Oct 7;14(1):6282. doi: 10.1038/s41467-023-41844-z.
Mass spectrometry data entry: PXD044625
11 Discovery of a Cell-Active SuTEx Ligand of Prostaglandin Reductase 2. Chembiochem. 2021 Jun 15;22(12):2134-2139. doi: 10.1002/cbic.202000879. Epub 2021 Apr 29.
12 Reimagining high-throughput profiling of reactive cysteines for cell-based screening of large electrophile libraries. Nat Biotechnol. 2021 May;39(5):630-641. doi: 10.1038/s41587-020-00778-3. Epub 2021 Jan 4.
13 Global profiling of functional histidines in live cells using small-molecule photosensitizer and chemical probe relay labelling. Nat Chem. 2024 Jun 4. doi: 10.1038/s41557-024-01545-6. Online ahead of print.
Mass spectrometry data entry: PXD042377
14 Targeted Proteomic Approaches for Proteome-Wide Characterizations of the AMP-Binding Capacities of Kinases. J Proteome Res. 2022 Aug 5;21(8):2063-2070. doi: 10.1021/acs.jproteome.2c00225. Epub 2022 Jul 12.
15 Tunable Amine-Reactive Electrophiles for Selective Profiling of Lysine. Angew Chem Int Ed Engl. 2022 Jan 26;61(5):e202112107. doi: 10.1002/anie.202112107. Epub 2021 Dec 16.
16 Enhancing Cysteine Chemoproteomic Coverage through Systematic Assessment of Click Chemistry Product Fragmentation. Anal Chem. 2022 Mar 8;94(9):3800-3810. doi: 10.1021/acs.analchem.1c04402. Epub 2022 Feb 23.
Mass spectrometry data entry: PXD028853
17 SP3-FAIMS Chemoproteomics for High-Coverage Profiling of the Human Cysteinome*. Chembiochem. 2021 May 14;22(10):1841-1851. doi: 10.1002/cbic.202000870. Epub 2021 Feb 18.
Mass spectrometry data entry: PXD023056 , PXD023059 , PXD023058 , PXD023057 , PXD023060
18 SP3-Enabled Rapid and High Coverage Chemoproteomic Identification of Cell-State-Dependent Redox-Sensitive Cysteines. Mol Cell Proteomics. 2022 Apr;21(4):100218. doi: 10.1016/j.mcpro.2022.100218. Epub 2022 Feb 25.
Mass spectrometry data entry: PXD029500 , PXD031647
19 Comparison of Quantitative Mass Spectrometry Platforms for Monitoring Kinase ATP Probe Uptake in Lung Cancer. J Proteome Res. 2018 Jan 5;17(1):63-75. doi: 10.1021/acs.jproteome.7b00329. Epub 2017 Nov 22.
Mass spectrometry data entry: PXD006095 , PXD006096
20 Chemoproteomic Profiling by Cysteine Fluoroalkylation Reveals Myrocin G as an Inhibitor of the Nonhomologous End Joining DNA Repair Pathway. J Am Chem Soc. 2021 Dec 8;143(48):20332-20342. doi: 10.1021/jacs.1c09724. Epub 2021 Nov 24.
Mass spectrometry data entry: PXD029255
21 Multiplexed CuAAC Suzuki-Miyaura Labeling for Tandem Activity-Based Chemoproteomic Profiling. Anal Chem. 2021 Feb 2;93(4):2610-2618. doi: 10.1021/acs.analchem.0c04726. Epub 2021 Jan 20.
Mass spectrometry data entry: PXD022279
22 A modification-centric assessment tool for the performance of chemoproteomic probes. Nat Chem Biol. 2022 Aug;18(8):904-912. doi: 10.1038/s41589-022-01074-8. Epub 2022 Jul 21.
Mass spectrometry data entry: PXD027758 , PXD027755 , PXD027760 , PXD027762 , PXD027756 , PXD027591 , PXD007149 , PXD030064 , PXD032392 , PXD027789 , PXD027767 , PXD027764
23 Solid Phase Synthesis of Fluorosulfate Containing Macrocycles for Chemoproteomic Workflows. bioRxiv [Preprint]. 2023 Feb 18:2023.02.17.529022. doi: 10.1101/2023.02.17.529022.
Mass spectrometry data entry: PXD039931
24 DFT-Guided Discovery of Ethynyl-Triazolyl-Phosphinates as Modular Electrophiles for Chemoselective Cysteine Bioconjugation and Profiling. Angew Chem Int Ed Engl. 2022 Oct 10;61(41):e202205348. doi: 10.1002/anie.202205348. Epub 2022 Aug 22.
Mass spectrometry data entry: PXD033004
25 Oxidative cyclization reagents reveal tryptophan cation- interactions. Nature. 2024 Mar;627(8004):680-687. doi: 10.1038/s41586-024-07140-6. Epub 2024 Mar 6.
Mass spectrometry data entry: PXD001377 , PXD005252
26 ACR-Based Probe for the Quantitative Profiling of Histidine Reactivity in the Human Proteome. J Am Chem Soc. 2023 Mar 8;145(9):5252-5260. doi: 10.1021/jacs.2c12653. Epub 2023 Feb 27.
27 N-Acryloylindole-alkyne (NAIA) enables imaging and profiling new ligandable cysteines and oxidized thiols by chemoproteomics. Nat Commun. 2023 Jun 15;14(1):3564. doi: 10.1038/s41467-023-39268-w.
Mass spectrometry data entry: PXD041264
28 Global profiling identifies a stress-responsive tyrosine site on EDC3 regulating biomolecular condensate formation. Cell Chem Biol. 2022 Dec 15;29(12):1709-1720.e7. doi: 10.1016/j.chembiol.2022.11.008. Epub 2022 Dec 6.
Mass spectrometry data entry: PXD038010
29 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.
30 Design and synthesis of minimalist terminal alkyne-containing diazirine photo-crosslinkers and their incorporation into kinase inhibitors for cell- and tissue-based proteome profiling. Angew Chem Int Ed Engl. 2013 Aug 12;52(33):8551-6. doi: 10.1002/anie.201300683. Epub 2013 Jun 10.
31 Pharmacological Targeting of Vacuolar H(+)-ATPase via Subunit V1G Combats Multidrug-Resistant Cancer. Cell Chem Biol. 2020 Nov 19;27(11):1359-1370.e8. doi: 10.1016/j.chembiol.2020.06.011. Epub 2020 Jul 9.
32 Small Molecule Interactome Mapping by Photoaffinity Labeling Reveals Binding Site Hotspots for the NSAIDs. J Am Chem Soc. 2018 Mar 28;140(12):4259-4268. doi: 10.1021/jacs.7b11639. Epub 2018 Mar 15.
Mass spectrometry data entry: PXD007094
33 Cell-based proteome profiling of potential dasatinib targets by use of affinity-based probes. J Am Chem Soc. 2012 Feb 15;134(6):3001-14. doi: 10.1021/ja208518u. Epub 2012 Feb 1.
34 Proteome profiling reveals potential cellular targets of staurosporine using a clickable cell-permeable probe. Chem Commun (Camb). 2011 Oct 28;47(40):11306-8. doi: 10.1039/c1cc14824a. Epub 2011 Sep 16.
35 Accelerating multiplexed profiling of protein-ligand interactions: High-throughput plate-based reactive cysteine profiling with minimal input. Cell Chem Biol. 2024 Mar 21;31(3):565-576.e4. doi: 10.1016/j.chembiol.2023.11.015. Epub 2023 Dec 19.
Mass spectrometry data entry: PXD044402
36 Site-specific quantitative cysteine profiling with data-independent acquisition-based mass spectrometry. Methods Enzymol. 2023;679:295-322. doi: 10.1016/bs.mie.2022.07.037. Epub 2022 Sep 7.
Mass spectrometry data entry: PXD027578
37 Proteome-wide covalent ligand discovery in native biological systems. Nature. 2016 Jun 23;534(7608):570-4. doi: 10.1038/nature18002. Epub 2016 Jun 15.