Details of the Target

General Information of Target

Target ID LDTP00491
Target Name Aurora kinase A (AURKA)
Gene Name AURKA
Gene ID 6790
Synonyms
AIK; AIRK1; ARK1; AURA; AYK1; BTAK; IAK1; STK15; STK6; Aurora kinase A; EC 2.7.11.1; Aurora 2; Aurora/IPL1-related kinase 1; ARK-1; Aurora-related kinase 1; Breast tumor-amplified kinase; Ipl1- and aurora-related kinase 1; Serine/threonine-protein kinase 15; Serine/threonine-protein kinase 6; Serine/threonine-protein kinase Ayk1; Serine/threonine-protein kinase aurora-A
3D Structure
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2D Sequence (FASTA)
Download
3D Structure (PDB)
Download
Sequence
MDRSKENCISGPVKATAPVGGPKRVLVTQQFPCQNPLPVNSGQAQRVLCPSNSSQRIPLQ
AQKLVSSHKPVQNQKQKQLQATSVPHPVSRPLNNTQKSKQPLPSAPENNPEEELASKQKN
EESKKRQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQLRR
EVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITEL
ANALSYCHSKRVIHRDIKPENLLLGSAGELKIADFGWSVHAPSSRRTTLCGTLDYLPPEM
IEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRISRVEFTFPDFVTEGARDLI
SRLLKHNPSQRPMLREVLEHPWITANSSKPSNCQNKESASKQS
Target Type
Clinical trial
Target Bioclass
Enzyme
Family
Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamily
Subcellular location
Cytoplasm, cytoskeleton, microtubule organizing center, centrosome
Function
Mitotic serine/threonine kinase that contributes to the regulation of cell cycle progression . Associates with the centrosome and the spindle microtubules during mitosis and plays a critical role in various mitotic events including the establishment of mitotic spindle, centrosome duplication, centrosome separation as well as maturation, chromosomal alignment, spindle assembly checkpoint, and cytokinesis. Required for normal spindle positioning during mitosis and for the localization of NUMA1 and DCTN1 to the cell cortex during metaphase. Required for initial activation of CDK1 at centrosomes. Phosphorylates numerous target proteins, including ARHGEF2, BORA, BRCA1, CDC25B, DLGP5, HDAC6, KIF2A, LATS2, NDEL1, PARD3, PPP1R2, PLK1, RASSF1, TACC3, p53/TP53 and TPX2. Regulates KIF2A tubulin depolymerase activity. Important for microtubule formation and/or stabilization. Required for normal axon formation. Plays a role in microtubule remodeling during neurite extension. Also acts as a key regulatory component of the p53/TP53 pathway, and particularly the checkpoint-response pathways critical for oncogenic transformation of cells, by phosphorylating and destabilizing p53/TP53. Phosphorylates its own inhibitors, the protein phosphatase type 1 (PP1) isoforms, to inhibit their activity. Inhibits cilia outgrowth. Required for cilia disassembly via phosphorylation of HDAC6 and subsequent deacetylation of alpha-tubulin. Regulates protein levels of the anti-apoptosis protein BIRC5 by suppressing the expression of the SCF(FBXL7) E3 ubiquitin-protein ligase substrate adapter FBXL7 through the phosphorylation of the transcription factor FOXP1.
TTD ID
T87675
Uniprot ID
O14965
DrugMap ID
TTPS3C0
Ensemble ID
ENST00000312783.10
HGNC ID
HGNC:11393
ChEMBL ID
CHEMBL4722

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 28 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
A-EBA
 Probe Info  		50.00  LDD0214  [1]
m-APA
 Probe Info  		13.93  LDD0402  [2]
STPyne
 Probe Info  		K143(4.14)  LDD0277  [3]
THZ1-DTB
 Probe Info  		C33(1.37)  LDD0460  [4]
BTD
 Probe Info  		C49(1.20); C8(1.08); C393(1.00)  LDD1700  [5]
DA-P3
 Probe Info  		9.39  LDD0182  [6]
AHL-Pu-1
 Probe Info  		C290(2.26)  LDD0168  [7]
HHS-475
 Probe Info  		Y148(0.80); Y199(0.90)  LDD0264  [8]
DBIA
 Probe Info  		C290(1.00); C8(0.99); C49(0.95)  LDD0078  [9]
4-Iodoacetamidophenylacetylene
 Probe Info  		N.A.  LDD0038  [10]
IA-alkyne
 Probe Info  		C247(0.00); C393(0.00)  LDD0036  [10]
Lodoacetamide azide
 Probe Info  		C247(0.00); C393(0.00)  LDD0037  [10]
ATP probe
 Probe Info  		N.A.  LDD0035  [11]
NAIA_4
 Probe Info  		C8(0.00); C33(0.00); 0.00; C290(0.00)  LDD2226  [12]
TFBX
 Probe Info  		N.A.  LDD0027  [13]
Compound 10
 Probe Info  		N.A.  LDD2216  [14]
Compound 11
 Probe Info  		N.A.  LDD2213  [14]
IPM
 Probe Info  		C8(0.00); C33(0.00); C49(0.00)  LDD0005  [15]
SF
 Probe Info  		N.A.  LDD0028  [16]
VSF
 Probe Info  		N.A.  LDD0007  [15]
Phosphinate-6
 Probe Info  		C33(0.00); C8(0.00); C49(0.00)  LDD0018  [17]
Acrolein
 Probe Info  		N.A.  LDD0217  [18]
Methacrolein
 Probe Info  		C8(0.00); C49(0.00)  LDD0218  [18]
W1
 Probe Info  		C33(0.00); C49(0.00)  LDD0236  [19]
AOyne
 Probe Info  		15.00  LDD0443  [20]
NAIA_5
 Probe Info  		C393(0.00); C247(0.00)  LDD2223  [12]
HHS-465
 Probe Info  		N.A.  LDD2240  [21]
HHS-482
 Probe Info  		Y148(1.23)  LDD2239  [22]
PAL-AfBPP Probe
Click To Hide/Show 5 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
FFF probe13
 Probe Info  		20.00  LDD0476  [23]
FFF probe3
 Probe Info  		20.00  LDD0465  [23]
VE-P
 Probe Info  		N.A.  LDD0396  [24]
Staurosporine capture compound
 Probe Info  		10.00  LDD0083  [25]
DA-2
 Probe Info  		N.A.  LDD0070  [26]

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 C8(0.64)  LDD2142  [5]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C8(0.76)  LDD2112  [5]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C49(0.73)  LDD2117  [5]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C8(1.04); C393(0.94)  LDD2152  [5]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C8(0.68)  LDD2132  [5]
 LDCM0025  4SU-RNA HEK-293T C290(2.26)  LDD0168  [7]
 LDCM0026  4SU-RNA+native RNA HEK-293T C49(2.18); C290(2.45)  LDD0169  [7]
 LDCM0214  AC1 HCT 116 C290(1.22); C33(0.99); C393(0.72); C49(1.09)  LDD0531  [9]
 LDCM0215  AC10 HCT 116 C33(1.01); C393(0.88)  LDD0532  [9]
 LDCM0216  AC100 HCT 116 C290(0.81); C33(0.99); C393(1.11); C49(1.77)  LDD0533  [9]
 LDCM0217  AC101 HCT 116 C290(0.89); C33(0.87); C393(1.44); C49(1.38)  LDD0534  [9]
 LDCM0218  AC102 HCT 116 C290(0.88); C33(0.83); C393(0.90); C49(1.32)  LDD0535  [9]
 LDCM0219  AC103 HCT 116 C290(1.44); C33(1.11); C393(1.11); C49(1.84)  LDD0536  [9]
 LDCM0220  AC104 HCT 116 C290(0.98); C33(1.27); C393(1.08); C49(1.41)  LDD0537  [9]
 LDCM0221  AC105 HCT 116 C290(0.93); C33(0.94); C393(1.26); C49(1.52)  LDD0538  [9]
 LDCM0222  AC106 HCT 116 C290(1.27); C33(1.40); C393(1.43); C49(1.47)  LDD0539  [9]
 LDCM0223  AC107 HCT 116 C290(1.21); C33(0.76); C393(1.71); C49(1.34)  LDD0540  [9]
 LDCM0224  AC108 HCT 116 C290(0.68); C33(1.12); C393(1.42); C49(1.20)  LDD0541  [9]
 LDCM0225  AC109 HCT 116 C290(0.77); C33(1.20); C393(1.04); C49(0.96)  LDD0542  [9]
 LDCM0226  AC11 HCT 116 C33(1.05); C393(0.80)  LDD0543  [9]
 LDCM0227  AC110 HCT 116 C290(1.04); C33(0.96); C393(1.56); C49(1.54)  LDD0544  [9]
 LDCM0228  AC111 HCT 116 C290(0.82); C33(1.03); C393(1.64); C49(1.37)  LDD0545  [9]
 LDCM0229  AC112 HCT 116 C290(0.79); C33(0.88); C393(1.29); C49(1.59)  LDD0546  [9]
 LDCM0230  AC113 HCT 116 C33(0.67); C393(0.97); C49(0.83); C8(0.83)  LDD0547  [9]
 LDCM0231  AC114 HCT 116 C33(0.80); C393(0.90); C49(0.60); C8(1.21)  LDD0548  [9]
 LDCM0232  AC115 HCT 116 C33(0.89); C393(0.88); C49(0.90); C8(1.14)  LDD0549  [9]
 LDCM0233  AC116 HCT 116 C33(0.75); C393(0.92); C49(0.75); C8(1.02)  LDD0550  [9]
 LDCM0234  AC117 HCT 116 C33(1.12); C393(0.93); C49(1.04); C8(0.92)  LDD0551  [9]
 LDCM0235  AC118 HCT 116 C33(1.02); C393(0.91); C49(0.85); C8(0.88)  LDD0552  [9]
 LDCM0236  AC119 HCT 116 C33(0.96); C393(0.99); C49(1.05); C8(0.98)  LDD0553  [9]
 LDCM0237  AC12 HCT 116 C33(0.93); C393(0.95)  LDD0554  [9]
 LDCM0238  AC120 HCT 116 C33(0.95); C393(1.00); C49(0.91); C8(0.99)  LDD0555  [9]
 LDCM0239  AC121 HCT 116 C33(0.90); C393(0.83); C49(0.80); C8(0.80)  LDD0556  [9]
 LDCM0240  AC122 HCT 116 C33(0.62); C393(1.07); C49(1.05); C8(1.00)  LDD0557  [9]
 LDCM0241  AC123 HCT 116 C33(0.82); C393(0.83); C49(0.95); C8(0.78)  LDD0558  [9]
 LDCM0242  AC124 HCT 116 C33(0.84); C393(0.80); C49(1.23); C8(0.73)  LDD0559  [9]
 LDCM0243  AC125 HCT 116 C33(0.73); C393(1.02); C49(0.76); C8(0.94)  LDD0560  [9]
 LDCM0244  AC126 HCT 116 C33(0.78); C393(0.88); C49(0.75); C8(0.88)  LDD0561  [9]
 LDCM0245  AC127 HCT 116 C33(1.10); C393(1.07); C49(0.83); C8(0.82)  LDD0562  [9]
 LDCM0246  AC128 HCT 116 C33(0.99); C393(1.08); C49(0.47); C8(0.52)  LDD0563  [9]
 LDCM0247  AC129 HCT 116 C33(1.39); C393(1.10); C49(0.39); C8(0.53)  LDD0564  [9]
 LDCM0249  AC130 HCT 116 C33(1.32); C393(1.30); C49(0.39); C8(0.55)  LDD0566  [9]
 LDCM0250  AC131 HCT 116 C33(1.17); C393(1.26); C49(0.40); C8(0.58)  LDD0567  [9]
 LDCM0251  AC132 HCT 116 C33(0.83); C393(1.41); C49(0.39); C8(0.55)  LDD0568  [9]
 LDCM0252  AC133 HCT 116 C33(0.84); C393(1.25); C49(0.42); C8(0.54)  LDD0569  [9]
 LDCM0253  AC134 HCT 116 C33(0.97); C393(1.51); C49(0.43); C8(0.55)  LDD0570  [9]
 LDCM0254  AC135 HCT 116 C33(0.76); C393(1.52); C49(0.69); C8(0.53)  LDD0571  [9]
 LDCM0255  AC136 HCT 116 C33(0.95); C393(1.39); C49(0.44); C8(0.63)  LDD0572  [9]
 LDCM0256  AC137 HCT 116 C33(0.82); C393(1.66); C49(0.37); C8(0.56)  LDD0573  [9]
 LDCM0257  AC138 HCT 116 C33(0.74); C393(1.89); C49(0.70); C8(0.50)  LDD0574  [9]
 LDCM0258  AC139 HCT 116 C33(0.75); C393(1.79); C49(0.44); C8(0.58)  LDD0575  [9]
 LDCM0259  AC14 HCT 116 C33(1.10); C393(0.74)  LDD0576  [9]
 LDCM0260  AC140 HCT 116 C33(0.96); C393(1.78); C49(0.61); C8(0.56)  LDD0577  [9]
 LDCM0261  AC141 HCT 116 C33(0.77); C393(1.84); C49(0.45); C8(0.55)  LDD0578  [9]
 LDCM0262  AC142 HCT 116 C33(0.86); C393(1.47); C49(0.40); C8(0.60)  LDD0579  [9]
 LDCM0263  AC143 HCT 116 C33(1.26); C393(1.39)  LDD0580  [9]
 LDCM0264  AC144 HCT 116 C393(1.44); C33(1.74)  LDD0581  [9]
 LDCM0265  AC145 HCT 116 C393(1.41); C33(1.48)  LDD0582  [9]
 LDCM0266  AC146 HCT 116 C393(0.71); C33(1.56)  LDD0583  [9]
 LDCM0267  AC147 HCT 116 C393(1.06); C33(1.98)  LDD0584  [9]
 LDCM0268  AC148 HCT 116 C393(1.24); C33(2.26)  LDD0585  [9]
 LDCM0269  AC149 HCT 116 C393(0.79); C33(2.27)  LDD0586  [9]
 LDCM0270  AC15 HCT 116 C393(0.89); C33(1.43)  LDD0587  [9]
 LDCM0271  AC150 HCT 116 C393(0.89); C33(1.29)  LDD0588  [9]
 LDCM0272  AC151 HCT 116 C33(1.24); C393(1.48)  LDD0589  [9]
 LDCM0273  AC152 HCT 116 C393(0.97); C33(2.34)  LDD0590  [9]
 LDCM0274  AC153 HCT 116 C393(1.22); C33(2.53)  LDD0591  [9]
 LDCM0621  AC154 HCT 116 C33(1.74); C393(1.45)  LDD2158  [9]
 LDCM0622  AC155 HCT 116 C33(1.47); C393(1.44)  LDD2159  [9]
 LDCM0623  AC156 HCT 116 C33(1.33); C393(0.88)  LDD2160  [9]
 LDCM0624  AC157 HCT 116 C33(2.45); C393(1.82)  LDD2161  [9]
 LDCM0276  AC17 HCT 116 C290(0.91); C393(1.08); C33(1.27); C49(1.28)  LDD0593  [9]
 LDCM0277  AC18 HCT 116 C290(0.91); C33(0.94); C393(1.09); C49(1.17)  LDD0594  [9]
 LDCM0278  AC19 HCT 116 C290(0.97); C393(1.09); C49(1.20); C33(1.50)  LDD0595  [9]
 LDCM0279  AC2 HCT 116 C393(0.86); C33(0.87); C49(1.04); C290(1.35)  LDD0596  [9]
 LDCM0280  AC20 HCT 116 C290(1.01); C393(1.19); C49(1.33); C33(1.63)  LDD0597  [9]
 LDCM0281  AC21 HCT 116 C290(0.81); C393(1.15); C49(1.36); C33(1.49)  LDD0598  [9]
 LDCM0282  AC22 HCT 116 C290(1.03); C393(1.32); C49(1.62); C33(1.63)  LDD0599  [9]
 LDCM0283  AC23 HCT 116 C290(0.74); C393(1.12); C49(1.25); C33(1.35)  LDD0600  [9]
 LDCM0284  AC24 HCT 116 C290(1.12); C393(1.14); C33(1.48); C49(1.69)  LDD0601  [9]
 LDCM0285  AC25 HCT 116 C33(1.22); C49(1.82)  LDD0602  [9]
 LDCM0286  AC26 HCT 116 C33(1.44); C49(2.64)  LDD0603  [9]
 LDCM0287  AC27 HCT 116 C33(1.54); C49(1.81)  LDD0604  [9]
 LDCM0288  AC28 HCT 116 C33(1.36); C49(2.42)  LDD0605  [9]
 LDCM0289  AC29 HCT 116 C33(1.35); C49(3.11)  LDD0606  [9]
 LDCM0290  AC3 HCT 116 C33(0.81); C49(0.84); C393(0.91); C290(1.35)  LDD0607  [9]
 LDCM0291  AC30 HCT 116 C33(1.21); C49(2.16)  LDD0608  [9]
 LDCM0292  AC31 HCT 116 C33(1.30); C49(1.63)  LDD0609  [9]
 LDCM0293  AC32 HCT 116 C33(1.58); C49(2.22)  LDD0610  [9]
 LDCM0294  AC33 HCT 116 C33(1.56); C49(2.28)  LDD0611  [9]
 LDCM0295  AC34 HCT 116 C33(1.65); C49(1.93)  LDD0612  [9]
 LDCM0296  AC35 HCT 116 C33(0.42); C393(1.46)  LDD0613  [9]
 LDCM0297  AC36 HCT 116 C33(0.45); C393(1.28)  LDD0614  [9]
 LDCM0298  AC37 HCT 116 C33(0.54); C393(1.52)  LDD0615  [9]
 LDCM0299  AC38 HCT 116 C33(0.45); C393(1.22)  LDD0616  [9]
 LDCM0300  AC39 HCT 116 C33(0.48); C393(2.32)  LDD0617  [9]
 LDCM0301  AC4 HCT 116 C49(0.63); C393(0.86); C33(0.88); C290(1.34)  LDD0618  [9]
 LDCM0302  AC40 HCT 116 C33(0.72); C393(1.12)  LDD0619  [9]
 LDCM0303  AC41 HCT 116 C33(0.56); C393(2.09)  LDD0620  [9]
 LDCM0304  AC42 HCT 116 C33(0.45); C393(1.84)  LDD0621  [9]
 LDCM0305  AC43 HCT 116 C33(0.53); C393(1.30)  LDD0622  [9]
 LDCM0306  AC44 HCT 116 C33(0.47); C393(2.73)  LDD0623  [9]
 LDCM0307  AC45 HCT 116 C33(0.60); C393(1.57)  LDD0624  [9]
 LDCM0308  AC46 HCT 116 C33(0.82); C393(1.85)  LDD0625  [9]
 LDCM0309  AC47 HCT 116 C33(0.88); C393(1.20)  LDD0626  [9]
 LDCM0310  AC48 HCT 116 C33(0.79); C393(1.52)  LDD0627  [9]
 LDCM0311  AC49 HCT 116 C33(1.28); C393(1.85)  LDD0628  [9]
 LDCM0312  AC5 HCT 116 C393(0.73); C49(0.81); C33(0.85); C290(1.58)  LDD0629  [9]
 LDCM0313  AC50 HCT 116 C33(1.22); C393(2.02)  LDD0630  [9]
 LDCM0314  AC51 HCT 116 C33(0.72); C393(1.89)  LDD0631  [9]
 LDCM0315  AC52 HCT 116 C33(1.03); C393(1.74)  LDD0632  [9]
 LDCM0316  AC53 HCT 116 C33(1.14); C393(1.46)  LDD0633  [9]
 LDCM0317  AC54 HCT 116 C33(1.13); C393(1.56)  LDD0634  [9]
 LDCM0318  AC55 HCT 116 C33(1.36); C393(2.03)  LDD0635  [9]
 LDCM0319  AC56 HCT 116 C393(1.65); C33(1.68)  LDD0636  [9]
 LDCM0320  AC57 HCT 116 C393(0.79); C33(1.17); C290(1.96); C49(2.91)  LDD0637  [9]
 LDCM0321  AC58 HCT 116 C393(1.24); C33(1.49); C49(2.13); C290(3.50)  LDD0638  [9]
 LDCM0322  AC59 HCT 116 C393(1.00); C49(1.30); C33(1.54); C290(2.15)  LDD0639  [9]
 LDCM0323  AC6 HCT 116 C393(0.88); C33(0.89)  LDD0640  [9]
 LDCM0324  AC60 HCT 116 C393(0.81); C49(0.84); C33(1.85); C290(2.34)  LDD0641  [9]
 LDCM0325  AC61 HCT 116 C393(0.68); C49(1.15); C33(1.33); C290(2.95)  LDD0642  [9]
 LDCM0326  AC62 HCT 116 C393(0.95); C33(1.08); C49(1.40); C290(3.07)  LDD0643  [9]
 LDCM0327  AC63 HCT 116 C393(0.84); C49(0.85); C33(1.33); C290(2.21)  LDD0644  [9]
 LDCM0328  AC64 HCT 116 C393(0.66); C49(0.87); C33(1.29); C290(3.22)  LDD0645  [9]
 LDCM0329  AC65 HCT 116 C393(0.56); C49(0.59); C33(1.01); C290(2.90)  LDD0646  [9]
 LDCM0330  AC66 HCT 116 C393(0.68); C49(0.68); C33(0.78); C290(3.14)  LDD0647  [9]
 LDCM0331  AC67 HCT 116 C393(0.60); C49(0.65); C33(0.99); C290(5.30)  LDD0648  [9]
 LDCM0332  AC68 HCT 116 C49(0.78); C33(1.16)  LDD0649  [9]
 LDCM0333  AC69 HCT 116 C49(0.60); C33(1.24)  LDD0650  [9]
 LDCM0334  AC7 HCT 116 C393(0.89); C33(1.16)  LDD0651  [9]
 LDCM0335  AC70 HCT 116 C49(0.80); C33(1.69)  LDD0652  [9]
 LDCM0336  AC71 HCT 116 C49(0.55); C33(1.47)  LDD0653  [9]
 LDCM0337  AC72 HCT 116 C49(0.62); C33(1.23)  LDD0654  [9]
 LDCM0338  AC73 HCT 116 C49(0.62); C33(1.92)  LDD0655  [9]
 LDCM0339  AC74 HCT 116 C49(0.64); C33(1.34)  LDD0656  [9]
 LDCM0340  AC75 HCT 116 C49(0.69); C33(1.96)  LDD0657  [9]
 LDCM0341  AC76 HCT 116 C49(0.67); C33(1.19)  LDD0658  [9]
 LDCM0342  AC77 HCT 116 C49(0.72); C33(1.07)  LDD0659  [9]
 LDCM0343  AC78 HCT 116 C49(0.70); C33(1.36)  LDD0660  [9]
 LDCM0344  AC79 HCT 116 C49(0.87); C33(1.36)  LDD0661  [9]
 LDCM0345  AC8 HCT 116 C393(0.88); C33(1.03)  LDD0662  [9]
 LDCM0346  AC80 HCT 116 C49(0.74); C33(1.60)  LDD0663  [9]
 LDCM0347  AC81 HCT 116 C49(0.59); C33(1.11)  LDD0664  [9]
 LDCM0348  AC82 HCT 116 C49(0.57); C33(1.53)  LDD0665  [9]
 LDCM0349  AC83 HCT 116 C8(1.15); C33(1.30)  LDD0666  [9]
 LDCM0350  AC84 HCT 116 C8(0.98); C33(1.08)  LDD0667  [9]
 LDCM0351  AC85 HCT 116 C8(0.84); C33(1.12)  LDD0668  [9]
 LDCM0352  AC86 HCT 116 C8(0.92); C33(1.14)  LDD0669  [9]
 LDCM0353  AC87 HCT 116 C8(0.92); C33(0.98)  LDD0670  [9]
 LDCM0354  AC88 HCT 116 C8(0.93); C33(1.25)  LDD0671  [9]
 LDCM0355  AC89 HCT 116 C8(1.02); C33(1.23)  LDD0672  [9]
 LDCM0357  AC90 HCT 116 C33(0.99); C8(1.40)  LDD0674  [9]
 LDCM0358  AC91 HCT 116 C8(1.00); C33(1.51)  LDD0675  [9]
 LDCM0359  AC92 HCT 116 C8(0.96); C33(1.28)  LDD0676  [9]
 LDCM0360  AC93 HCT 116 C8(1.02); C33(1.24)  LDD0677  [9]
 LDCM0361  AC94 HCT 116 C8(0.67); C33(1.10)  LDD0678  [9]
 LDCM0362  AC95 HCT 116 C8(1.00); C33(1.35)  LDD0679  [9]
 LDCM0363  AC96 HCT 116 C8(0.68); C33(0.99)  LDD0680  [9]
 LDCM0364  AC97 HCT 116 C8(0.97); C33(1.56)  LDD0681  [9]
 LDCM0365  AC98 HCT 116 C8(0.97); C290(1.16); C33(1.42); C49(1.45)  LDD0682  [9]
 LDCM0366  AC99 HCT 116 C33(0.75); C290(0.77); C8(0.79); C393(1.08)  LDD0683  [9]
 LDCM0520  AKOS000195272 MDA-MB-231 C8(0.64)  LDD2113  [5]
 LDCM0248  AKOS034007472 HCT 116 C33(0.97); C393(0.89)  LDD0565  [9]
 LDCM0356  AKOS034007680 HCT 116 C393(0.73); C33(1.21)  LDD0673  [9]
 LDCM0275  AKOS034007705 HCT 116 C393(0.99); C33(1.39)  LDD0592  [9]
 LDCM0020  ARS-1620 HCC44 C290(1.00); C8(0.99); C49(0.95)  LDD0078  [9]
 LDCM0087  Capsaicin HEK-293T 16.22  LDD0185  [6]
 LDCM0108  Chloroacetamide HeLa N.A.  LDD0222  [18]
 LDCM0632  CL-Sc Hep-G2 C290(20.00); C393(1.57); C247(0.83); C393(0.57)  LDD2227  [12]
 LDCM0367  CL1 HCT 116 C8(0.80); C290(0.93); C393(1.09)  LDD0684  [9]
 LDCM0368  CL10 HCT 116 C8(0.77); C290(1.15); C393(1.28)  LDD0685  [9]
 LDCM0369  CL100 HCT 116 C49(0.91); C33(0.98); C393(0.99); C290(1.52)  LDD0686  [9]
 LDCM0370  CL101 HCT 116 C393(0.81); C33(1.07)  LDD0687  [9]
 LDCM0371  CL102 HCT 116 C393(0.75); C33(0.84)  LDD0688  [9]
 LDCM0372  CL103 HCT 116 C393(0.75); C33(1.18)  LDD0689  [9]
 LDCM0373  CL104 HCT 116 C393(0.81); C33(1.17)  LDD0690  [9]
 LDCM0374  CL105 HCT 116 C290(0.78); C49(0.92); C33(1.07); C393(1.08)  LDD0691  [9]
 LDCM0375  CL106 HCT 116 C290(0.63); C49(1.05); C393(1.08); C33(1.70)  LDD0692  [9]
 LDCM0376  CL107 HCT 116 C290(0.84); C393(1.06); C49(1.18); C33(1.18)  LDD0693  [9]
 LDCM0377  CL108 HCT 116 C290(0.80); C393(1.09); C49(1.24); C33(1.43)  LDD0694  [9]
 LDCM0378  CL109 HCT 116 C290(0.84); C393(1.16); C49(1.29); C33(1.38)  LDD0695  [9]
 LDCM0379  CL11 HCT 116 C8(0.65); C290(1.11); C393(1.15)  LDD0696  [9]
 LDCM0380  CL110 HCT 116 C290(0.98); C49(1.03); C33(1.40); C393(1.62)  LDD0697  [9]
 LDCM0381  CL111 HCT 116 C49(0.76); C290(0.85); C393(1.21); C33(1.36)  LDD0698  [9]
 LDCM0382  CL112 HCT 116 C33(0.97); C49(1.66)  LDD0699  [9]
 LDCM0383  CL113 HCT 116 C33(1.41); C49(1.79)  LDD0700  [9]
 LDCM0384  CL114 HCT 116 C33(0.96); C49(1.95)  LDD0701  [9]
 LDCM0385  CL115 HCT 116 C33(1.29); C49(1.85)  LDD0702  [9]
 LDCM0386  CL116 HCT 116 C33(1.08); C49(1.68)  LDD0703  [9]
 LDCM0387  CL117 HCT 116 C33(0.74); C393(1.03)  LDD0704  [9]
 LDCM0388  CL118 HCT 116 C33(0.46); C393(2.06)  LDD0705  [9]
 LDCM0389  CL119 HCT 116 C33(0.54); C393(1.89)  LDD0706  [9]
 LDCM0390  CL12 HCT 116 C8(0.75); C290(1.15); C393(1.28)  LDD0707  [9]
 LDCM0391  CL120 HCT 116 C33(0.49); C393(2.25)  LDD0708  [9]
 LDCM0392  CL121 HCT 116 C33(0.65); C393(1.16)  LDD0709  [9]
 LDCM0393  CL122 HCT 116 C33(0.82); C393(1.89)  LDD0710  [9]
 LDCM0394  CL123 HCT 116 C33(1.18); C393(3.03)  LDD0711  [9]
 LDCM0395  CL124 HCT 116 C33(1.30); C393(2.46)  LDD0712  [9]
 LDCM0396  CL125 HCT 116 C49(0.71); C33(0.90); C393(1.26); C290(1.44)  LDD0713  [9]
 LDCM0397  CL126 HCT 116 C49(0.62); C393(0.63); C33(0.77); C290(1.28)  LDD0714  [9]
 LDCM0398  CL127 HCT 116 C393(0.71); C49(0.95); C33(1.00); C290(1.96)  LDD0715  [9]
 LDCM0399  CL128 HCT 116 C393(0.74); C33(1.39); C49(1.82); C290(2.28)  LDD0716  [9]
 LDCM0400  CL13 HCT 116 C8(0.91); C290(1.22); C393(1.23)  LDD0717  [9]
 LDCM0401  CL14 HCT 116 C8(0.82); C290(1.05); C393(1.08)  LDD0718  [9]
 LDCM0402  CL15 HCT 116 C8(0.63); C393(1.11); C290(1.12)  LDD0719  [9]
 LDCM0403  CL16 HCT 116 C290(0.74); C49(0.85); C393(0.95); C33(1.29)  LDD0720  [9]
 LDCM0404  CL17 HCT 116 C290(0.79); C49(0.82); C33(1.10); C393(1.16)  LDD0721  [9]
 LDCM0405  CL18 HCT 116 C393(0.80); C33(0.83); C290(1.02); C49(1.08)  LDD0722  [9]
 LDCM0406  CL19 HCT 116 C33(0.86); C393(0.89); C290(0.90); C49(1.02)  LDD0723  [9]
 LDCM0407  CL2 HCT 116 C8(0.92); C290(0.98); C393(1.23)  LDD0724  [9]
 LDCM0408  CL20 HCT 116 C33(0.99); C290(1.01); C393(1.07); C49(1.10)  LDD0725  [9]
 LDCM0409  CL21 HCT 116 C393(0.66); C33(0.75); C49(0.80); C290(1.54)  LDD0726  [9]
 LDCM0410  CL22 HCT 116 C33(0.63); C393(0.69); C49(0.71); C290(1.70)  LDD0727  [9]
 LDCM0411  CL23 HCT 116 C290(0.77); C393(0.84); C49(1.04); C33(1.20)  LDD0728  [9]
 LDCM0412  CL24 HCT 116 C393(0.82); C49(0.92); C290(1.12); C33(1.12)  LDD0729  [9]
 LDCM0413  CL25 HCT 116 C290(1.00); C33(0.98); C393(0.68); C49(0.69)  LDD0730  [9]
 LDCM0414  CL26 HCT 116 C290(0.92); C33(0.96); C393(0.66); C49(0.91)  LDD0731  [9]
 LDCM0415  CL27 HCT 116 C290(0.89); C33(1.01); C393(0.75); C49(0.79)  LDD0732  [9]
 LDCM0416  CL28 HCT 116 C290(0.97); C33(1.07); C393(0.89); C49(0.99)  LDD0733  [9]
 LDCM0417  CL29 HCT 116 C290(1.20); C33(0.95); C393(0.88); C49(1.02)  LDD0734  [9]
 LDCM0418  CL3 HCT 116 C290(0.92); C393(0.98); C8(0.81)  LDD0735  [9]
 LDCM0419  CL30 HCT 116 C290(0.96); C33(0.97); C393(1.00); C49(1.10)  LDD0736  [9]
 LDCM0420  CL31 HCT 116 C290(0.96); C393(0.96); C49(1.10)  LDD0737  [9]
 LDCM0421  CL32 HCT 116 C290(0.95); C33(1.12); C393(1.24); C49(0.85)  LDD0738  [9]
 LDCM0422  CL33 HCT 116 C290(1.08); C33(1.14); C393(1.12); C49(1.05)  LDD0739  [9]
 LDCM0423  CL34 HCT 116 C290(1.16); C33(1.02); C393(0.94); C49(1.06)  LDD0740  [9]
 LDCM0424  CL35 HCT 116 C290(1.10); C33(1.20); C393(1.14); C49(1.18)  LDD0741  [9]
 LDCM0425  CL36 HCT 116 C290(1.13); C33(1.00); C393(0.95); C49(0.90)  LDD0742  [9]
 LDCM0426  CL37 HCT 116 C290(0.98); C33(0.84); C393(1.07); C49(1.04)  LDD0743  [9]
 LDCM0428  CL39 HCT 116 C290(0.92); C33(1.05); C393(1.04); C49(1.31)  LDD0745  [9]
 LDCM0429  CL4 HCT 116 C290(0.94); C393(0.88); C8(0.81)  LDD0746  [9]
 LDCM0430  CL40 HCT 116 C290(1.08); C33(1.24); C393(0.97); C49(1.01)  LDD0747  [9]
 LDCM0431  CL41 HCT 116 C290(1.11); C33(1.12); C393(0.88); C49(1.09)  LDD0748  [9]
 LDCM0432  CL42 HCT 116 C290(1.17); C33(0.82); C393(1.04); C49(1.65)  LDD0749  [9]
 LDCM0433  CL43 HCT 116 C290(1.20); C33(1.06); C393(1.00); C49(1.53)  LDD0750  [9]
 LDCM0434  CL44 HCT 116 C290(1.10); C33(1.03); C393(1.09); C49(1.74)  LDD0751  [9]
 LDCM0435  CL45 HCT 116 C290(1.22); C33(0.94); C393(1.12); C49(1.51)  LDD0752  [9]
 LDCM0436  CL46 HCT 116 C290(0.65); C33(0.94); C393(0.85); C49(1.10)  LDD0753  [9]
 LDCM0437  CL47 HCT 116 C290(0.82); C33(0.84); C393(0.84); C49(0.74)  LDD0754  [9]
 LDCM0438  CL48 HCT 116 C290(0.68); C33(0.79); C393(0.90); C49(0.90)  LDD0755  [9]
 LDCM0439  CL49 HCT 116 C290(0.78); C33(1.03); C393(1.08); C49(0.79)  LDD0756  [9]
 LDCM0440  CL5 HCT 116 C290(0.97); C393(1.09); C8(0.82)  LDD0757  [9]
 LDCM0441  CL50 HCT 116 C290(0.65); C33(1.10); C393(0.82); C49(0.98)  LDD0758  [9]
 LDCM0442  CL51 HCT 116 C290(0.93); C33(0.92); C393(0.87); C49(0.88)  LDD0759  [9]
 LDCM0443  CL52 HCT 116 C290(0.87); C33(1.12); C393(0.99); C49(1.01)  LDD0760  [9]
 LDCM0444  CL53 HCT 116 C290(0.71); C33(1.24); C393(0.72); C49(1.29)  LDD0761  [9]
 LDCM0445  CL54 HCT 116 C290(0.64); C33(1.00); C393(0.86); C49(0.70)  LDD0762  [9]
 LDCM0446  CL55 HCT 116 C290(0.66); C33(1.04); C393(0.84); C49(0.89)  LDD0763  [9]
 LDCM0447  CL56 HCT 116 C290(0.96); C33(1.01); C393(0.83); C49(0.86)  LDD0764  [9]
 LDCM0448  CL57 HCT 116 C290(0.83); C33(0.86); C393(0.74); C49(0.75)  LDD0765  [9]
 LDCM0449  CL58 HCT 116 C290(0.73); C33(0.92); C393(0.90); C49(0.98)  LDD0766  [9]
 LDCM0450  CL59 HCT 116 C290(0.77); C33(1.03); C393(0.71); C49(1.04)  LDD0767  [9]
 LDCM0451  CL6 HCT 116 C290(1.03); C393(1.11); C8(0.76)  LDD0768  [9]
 LDCM0452  CL60 HCT 116 C290(0.77); C33(0.82); C393(1.00); C49(0.96)  LDD0769  [9]
 LDCM0453  CL61 HCT 116 C290(1.21); C393(1.39); C49(0.85)  LDD0770  [9]
 LDCM0454  CL62 HCT 116 C290(1.10); C393(1.58); C49(0.97)  LDD0771  [9]
 LDCM0455  CL63 HCT 116 C290(1.31); C393(1.27); C49(0.91)  LDD0772  [9]
 LDCM0456  CL64 HCT 116 C290(1.58); C393(1.07); C49(0.77)  LDD0773  [9]
 LDCM0457  CL65 HCT 116 C290(1.21); C393(0.97); C49(0.75)  LDD0774  [9]
 LDCM0458  CL66 HCT 116 C290(2.00); C393(1.25); C49(0.93)  LDD0775  [9]
 LDCM0459  CL67 HCT 116 C290(1.43); C393(1.05); C49(0.89)  LDD0776  [9]
 LDCM0460  CL68 HCT 116 C290(1.33); C393(1.39); C49(1.04)  LDD0777  [9]
 LDCM0461  CL69 HCT 116 C290(1.29); C393(1.54); C49(0.98)  LDD0778  [9]
 LDCM0462  CL7 HCT 116 C290(1.12); C393(1.17); C8(0.80)  LDD0779  [9]
 LDCM0463  CL70 HCT 116 C290(1.57); C393(1.66); C49(1.02)  LDD0780  [9]
 LDCM0464  CL71 HCT 116 C290(1.39); C393(1.53); C49(0.99)  LDD0781  [9]
 LDCM0465  CL72 HCT 116 C290(1.10); C393(1.18); C49(0.98)  LDD0782  [9]
 LDCM0466  CL73 HCT 116 C290(1.31); C393(1.25); C49(0.92)  LDD0783  [9]
 LDCM0467  CL74 HCT 116 C290(1.41); C393(1.39); C49(0.97)  LDD0784  [9]
 LDCM0469  CL76 HCT 116 C393(1.31); C49(1.25); C8(0.82)  LDD0786  [9]
 LDCM0470  CL77 HCT 116 C393(1.57); C49(1.02); C8(0.76)  LDD0787  [9]
 LDCM0471  CL78 HCT 116 C393(1.34); C49(1.13); C8(0.74)  LDD0788  [9]
 LDCM0472  CL79 HCT 116 C393(1.08); C49(1.08); C8(0.86)  LDD0789  [9]
 LDCM0473  CL8 HCT 116 C290(1.55); C393(1.21); C8(0.97)  LDD0790  [9]
 LDCM0474  CL80 HCT 116 C393(1.16); C49(0.97); C8(0.88)  LDD0791  [9]
 LDCM0475  CL81 HCT 116 C393(1.14); C49(0.97); C8(0.74)  LDD0792  [9]
 LDCM0476  CL82 HCT 116 C393(1.17); C49(2.17); C8(0.74)  LDD0793  [9]
 LDCM0477  CL83 HCT 116 C393(1.02); C49(0.97); C8(0.77)  LDD0794  [9]
 LDCM0478  CL84 HCT 116 C393(1.18); C49(1.13); C8(0.84)  LDD0795  [9]
 LDCM0479  CL85 HCT 116 C393(1.10); C49(0.99); C8(0.87)  LDD0796  [9]
 LDCM0480  CL86 HCT 116 C393(1.16); C49(0.74); C8(0.88)  LDD0797  [9]
 LDCM0481  CL87 HCT 116 C393(1.13); C49(0.77); C8(0.83)  LDD0798  [9]
 LDCM0482  CL88 HCT 116 C393(1.11); C49(1.12); C8(0.75)  LDD0799  [9]
 LDCM0483  CL89 HCT 116 C393(0.84); C49(1.56); C8(0.83)  LDD0800  [9]
 LDCM0484  CL9 HCT 116 C290(0.97); C393(1.52); C8(0.83)  LDD0801  [9]
 LDCM0485  CL90 HCT 116 C393(1.22); C49(0.75); C8(0.65)  LDD0802  [9]
 LDCM0486  CL91 HCT 116 C290(1.12); C33(1.09); C393(0.99); C49(1.05)  LDD0803  [9]
 LDCM0487  CL92 HCT 116 C290(1.25); C33(0.92); C393(0.94); C49(0.77)  LDD0804  [9]
 LDCM0488  CL93 HCT 116 C290(1.17); C33(0.80); C393(0.77); C49(0.77)  LDD0805  [9]
 LDCM0489  CL94 HCT 116 C290(1.68); C33(1.03); C393(0.76); C49(0.96)  LDD0806  [9]
 LDCM0490  CL95 HCT 116 C290(1.38); C33(1.04); C393(0.81); C49(0.80)  LDD0807  [9]
 LDCM0491  CL96 HCT 116 C290(1.41); C33(0.89); C393(0.75); C49(0.72)  LDD0808  [9]
 LDCM0492  CL97 HCT 116 C290(1.60); C33(0.79); C393(0.79); C49(0.74)  LDD0809  [9]
 LDCM0493  CL98 HCT 116 C290(1.36); C33(0.88); C393(0.87); C49(0.97)  LDD0810  [9]
 LDCM0494  CL99 HCT 116 C290(1.38); C33(0.95); C393(0.81); C49(0.81)  LDD0811  [9]
 LDCM0634  CY-0357 Hep-G2 C33(0.31)  LDD2228  [12]
 LDCM0495  E2913 HEK-293T C49(0.95); C8(1.05); C290(1.06); C393(1.03)  LDD1698  [27]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C393(1.68)  LDD1702  [5]
 LDCM0625  F8 Ramos C49(1.21); C8(1.02); C290(1.28)  LDD2187  [28]
 LDCM0572  Fragment10 Ramos C49(1.30)  LDD2189  [28]
 LDCM0573  Fragment11 Ramos C49(20.00)  LDD2190  [28]
 LDCM0574  Fragment12 Ramos C49(0.91); C8(0.74); C33(0.82)  LDD2191  [28]
 LDCM0575  Fragment13 Ramos C49(0.85); C8(1.43); C33(1.36)  LDD2192  [28]
 LDCM0576  Fragment14 Ramos C49(1.02); C8(1.03); C290(1.01)  LDD2193  [28]
 LDCM0579  Fragment20 Ramos C49(0.77)  LDD2194  [28]
 LDCM0580  Fragment21 Ramos C49(1.03); C8(0.89); C33(1.00)  LDD2195  [28]
 LDCM0582  Fragment23 Ramos C49(1.08); C8(0.93)  LDD2196  [28]
 LDCM0578  Fragment27 Ramos C49(0.93); C8(1.61); C33(0.87)  LDD2197  [28]
 LDCM0586  Fragment28 Ramos C49(0.69); C8(0.87); C290(1.08); C33(1.05)  LDD2198  [28]
 LDCM0588  Fragment30 Ramos C49(1.15); C8(1.17); C33(0.86)  LDD2199  [28]
 LDCM0589  Fragment31 Ramos C49(1.26); C8(0.74); C33(1.29)  LDD2200  [28]
 LDCM0590  Fragment32 Ramos C49(1.47); C33(0.92)  LDD2201  [28]
 LDCM0468  Fragment33 HCT 116 C290(1.26); C393(1.25); C49(0.84)  LDD0785  [9]
 LDCM0596  Fragment38 Ramos C49(1.15); C8(0.87); C33(1.06)  LDD2203  [28]
 LDCM0566  Fragment4 Ramos C49(1.20); C8(0.96); C290(0.85); C33(1.48)  LDD2184  [28]
 LDCM0427  Fragment51 HCT 116 C290(1.47); C33(1.03); C393(1.06); C49(2.53)  LDD0744  [9]
 LDCM0610  Fragment52 Ramos C49(1.15); C33(0.99)  LDD2204  [28]
 LDCM0614  Fragment56 Ramos C49(1.46); C8(1.05)  LDD2205  [28]
 LDCM0569  Fragment7 Ramos C49(1.44); C8(0.89)  LDD2186  [28]
 LDCM0571  Fragment9 Ramos C49(1.32); C33(2.16)  LDD2188  [28]
 LDCM0116  HHS-0101 DM93 Y148(0.80); Y199(0.90)  LDD0264  [8]
 LDCM0117  HHS-0201 DM93 Y148(0.55); Y199(0.79)  LDD0265  [8]
 LDCM0118  HHS-0301 DM93 Y199(0.68); Y148(0.78)  LDD0266  [8]
 LDCM0119  HHS-0401 DM93 Y199(0.29); Y148(0.65)  LDD0267  [8]
 LDCM0120  HHS-0701 DM93 Y199(1.46); Y148(1.62)  LDD0268  [8]
 LDCM0022  KB02 HCT 116 C33(2.27)  LDD0080  [9]
 LDCM0023  KB03 HCT 116 C33(1.62)  LDD0081  [9]
 LDCM0024  KB05 HCT 116 C33(1.64)  LDD0082  [9]
 LDCM0030  Luteolin HEK-293T 9.39  LDD0182  [6]
 LDCM0509  N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide MDA-MB-231 C8(1.12)  LDD2102  [5]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C8(0.26)  LDD2121  [5]
 LDCM0497  Nucleophilic fragment 11b MDA-MB-231 C8(1.37); C393(1.09)  LDD2090  [5]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C8(0.95)  LDD2092  [5]
 LDCM0501  Nucleophilic fragment 13b MDA-MB-231 C8(1.26)  LDD2094  [5]
 LDCM0503  Nucleophilic fragment 14b MDA-MB-231 C8(1.09)  LDD2096  [5]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C8(0.69)  LDD2097  [5]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C8(0.76)  LDD2098  [5]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C8(0.82); C393(0.49)  LDD2099  [5]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C49(0.66)  LDD2100  [5]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C8(0.73)  LDD2101  [5]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C8(0.47)  LDD2104  [5]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C8(1.35)  LDD2105  [5]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C8(0.45)  LDD2106  [5]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C8(0.79); C393(0.75)  LDD2107  [5]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C8(0.49)  LDD2108  [5]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C49(1.08)  LDD2109  [5]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C8(0.86); C49(1.27)  LDD2111  [5]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C8(0.29)  LDD2114  [5]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C8(0.50)  LDD2115  [5]
 LDCM0523  Nucleophilic fragment 24b MDA-MB-231 C8(1.00)  LDD2116  [5]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C8(0.90)  LDD2120  [5]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C8(1.06)  LDD2122  [5]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C8(0.73)  LDD2123  [5]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C8(0.73); C393(0.41); C49(1.01)  LDD2125  [5]
 LDCM0535  Nucleophilic fragment 30b MDA-MB-231 C8(0.84)  LDD2128  [5]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C8(0.82); C393(0.49)  LDD2129  [5]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C8(0.53)  LDD2134  [5]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C8(0.73)  LDD2135  [5]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C8(0.85); C393(0.64)  LDD2136  [5]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C393(0.81)  LDD2137  [5]
 LDCM0211  Nucleophilic fragment 3b MDA-MB-231 C49(1.20); C8(1.08); C393(1.00)  LDD1700  [5]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C8(0.71); C393(0.44); C49(0.73)  LDD2140  [5]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C8(0.67); C393(0.98)  LDD2141  [5]
 LDCM0551  Nucleophilic fragment 5b MDA-MB-231 C8(0.85)  LDD2145  [5]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C8(0.67)  LDD2146  [5]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C8(0.70)  LDD2148  [5]
 LDCM0557  Nucleophilic fragment 8b MDA-MB-231 C8(1.36)  LDD2151  [5]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C8(1.57)  LDD2153  [5]
 LDCM0131  RA190 MM1.R C393(1.42)  LDD0304  [29]
 LDCM0019  Staurosporine Hep-G2 10.00  LDD0083  [25]
 LDCM0021  THZ1 HeLa S3 C33(1.37)  LDD0460  [4]
 LDCM0112  W16 Hep-G2 C33(0.72); C49(0.75)  LDD0239  [19]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 4 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Serine/threonine-protein kinase PLK1 (PLK1) Ser/Thr protein kinase family P53350
Inhibitor of nuclear factor kappa-B kinase subunit beta (IKBKB) Ser/Thr protein kinase family O14920
Epidermal growth factor receptor (EGFR) Tyr protein kinase family P00533
Receptor-type tyrosine-protein phosphatase delta (PTPRD) Protein-tyrosine phosphatase family P23468
Transcription factor
Click To Hide/Show 2 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Tumor protein p73 (TP73) P53 family O15350
N-myc proto-oncogene protein (MYCN) . P04198
Cytokine and receptor
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Protein Red (IK) RED family Q13123
Other
Click To Hide/Show 7 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Baculoviral IAP repeat-containing protein 5 (BIRC5) IAP family O15392
Inner centromere protein (INCENP) INCENP family Q9NQS7
Small ribosomal subunit protein mS38 (AURKAIP1) Mitochondrion-specific ribosomal protein mS38 family Q9NWT8
Nucleophosmin (NPM1) Nucleoplasmin family P06748
Targeting protein for Xklp2 (TPX2) TPX2 family Q9ULW0
Heterogeneous nuclear ribonucleoprotein K (HNRNPK) . P61978
Sperm-associated antigen 5 (SPAG5) . Q96R06

The Drug(s) Related To This Target

Approved
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Fostamatinib Small molecular drug DB12010
Phase 3
Click To Hide/Show 3 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Rosiglitazone + Metformin Combination drug (small molecular drug) D0A1AQ
At9283 Small molecular drug D05PZB
Mln8237 Small molecular drug D0S4JK
Phase 2
Click To Hide/Show 5 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Abt-348 Small molecular drug D08HOM
Enmd-2076 Small molecular drug D0S7HM
Ly3295668 Small molecular drug D3QEZ2
Pha-739358 Small molecular drug D02RJY
Vx-680 Small molecular drug D02XNW
Phase 1
Click To Hide/Show 9 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Amg 900 Small molecular drug D0EJ3B
Cyc116 Small molecular drug D0CY1B
Mk-5108 Small molecular drug D0J6AB
Mln8054 Small molecular drug D0A5MC
R763 Small molecular drug D0E5XA
Sns-314 Small molecular drug D0OA5G
Hpp-607 . D05LKZ
Tas-119 . D0L3RO
Vic-1911 . D6FX2G
Investigative
Click To Hide/Show 19 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
2-(1h-pyrazol-3-yl)-1h-benzimidazole Small molecular drug D04YQF
4-(1h-pyrazol-4-yl)-1h-pyrrolo[2,3-b]Pyridine Small molecular drug D04MYT
6-bromoindirubin-3-oxime Small molecular drug D06OAH
7-fluoroindirubin-3-oxime Small molecular drug D00TKJ
Alisertib Small molecular drug DB05220
Enzastaurin Small molecular drug DB06486
Indirubin-3'-monoxime Small molecular drug D0Y0ES
Indirubin-3-acetoxime Small molecular drug D06AGN
Indirubin-3-methoxime Small molecular drug D0V6LP
N-{3-[(4-{[3-(Trifluoromethyl)Phenyl]Amino}Pyrimidin-2-yl)Amino]Phenyl}Cyclopropanecarboxamide Small molecular drug DB07545
Phosphonothreonine Small molecular drug D05BHG
Zm-447439 Small molecular drug D0QC0W
1-(5-{2-[(1-methyl-1h-pyrazolo[43-d]Pyrimidin-7-yl)Amino]Ethyl}-13-thiazol-2-yl)-3-[3-(Trifluoromethyl)Phenyl]Urea . DB07362
1-{5-[2-(Thieno[32-d]Pyrimidin-4-ylamino)Ethyl]-13-thiazol-2-yl}-3-[3-(Trifluoromethyl)Phenyl]Urea . DB07360
4-(4-methylpiperazin-1-yl)-n-[5-(2-thienylacetyl)-15-dihydropyrrolo[34-c]Pyrazol-3-yl]Benzamide . DB07186
Aki-001 . DB07266
Cenisertib . DB06347
N-butyl-3-{[6-(9h-purin-6-ylamino)Hexanoyl]Amino}Benzamide . DB07801
N-[3-(1h-benzimidazol-2-yl)-1h-pyrazol-4-yl]Benzamide . DB08066
Discontinued
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Pf-03814735 Small molecular drug D0H7AC

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 Quantitative and Site-Specific Chemoproteomic Profiling of Targets of Acrolein. Chem Res Toxicol. 2019 Mar 18;32(3):467-473. doi: 10.1021/acs.chemrestox.8b00343. Epub 2019 Jan 15.
3 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
4 A Chemoproteomic Strategy for Direct and Proteome-Wide Covalent Inhibitor Target-Site Identification. J Am Chem Soc. 2019 Jan 9;141(1):191-203. doi: 10.1021/jacs.8b07911. Epub 2018 Dec 20.
5 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
6 A chemical probe unravels the reactive proteome of health-associated catechols. Chem Sci. 2023 Jul 22;14(32):8635-8643. doi: 10.1039/d3sc00888f. eCollection 2023 Aug 16.
Mass spectrometry data entry: PXD043348
7 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
8 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.
9 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.
10 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
11 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
12 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
13 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
14 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
15 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
16 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
17 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
18 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.
19 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.
20 Chemoproteomic profiling of targets of lipid-derived electrophiles by bioorthogonal aminooxy probe. Redox Biol. 2017 Aug;12:712-718. doi: 10.1016/j.redox.2017.04.001. Epub 2017 Apr 5.
21 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
22 Global targeting of functional tyrosines using sulfur-triazole exchange chemistry. Nat Chem Biol. 2020 Feb;16(2):150-159. doi: 10.1038/s41589-019-0404-5. Epub 2019 Nov 25.
23 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.
24 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.
25 Comprehensive identification of staurosporine-binding kinases in the hepatocyte cell line HepG2 using Capture Compound Mass Spectrometry (CCMS). J Proteome Res. 2010 Feb 5;9(2):806-17. doi: 10.1021/pr9007333.
26 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.
27 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
28 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
29 Physical and Functional Analysis of the Putative Rpn13 Inhibitor RA190. Cell Chem Biol. 2020 Nov 19;27(11):1371-1382.e6. doi: 10.1016/j.chembiol.2020.08.007. Epub 2020 Aug 27.