Details of the Target

General Information of Target

Target ID LDTP02946
Target Name Vinculin (VCL)
Gene Name VCL
Gene ID 7414
Synonyms
Vinculin; Metavinculin; MV
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MPVFHTRTIESILEPVAQQISHLVIMHEEGEVDGKAIPDLTAPVAAVQAAVSNLVRVGKE
TVQTTEDQILKRDMPPAFIKVENACTKLVQAAQMLQSDPYSVPARDYLIDGSRGILSGTS
DLLLTFDEAEVRKIIRVCKGILEYLTVAEVVETMEDLVTYTKNLGPGMTKMAKMIDERQQ
ELTHQEHRVMLVNSMNTVKELLPVLISAMKIFVTTKNSKNQGIEEALKNRNFTVEKMSAE
INEIIRVLQLTSWDEDAWASKDTEAMKRALASIDSKLNQAKGWLRDPSASPGDAGEQAIR
QILDEAGKVGELCAGKERREILGTCKMLGQMTDQVADLRARGQGSSPVAMQKAQQVSQGL
DVLTAKVENAARKLEAMTNSKQSIAKKIDAAQNWLADPNGGPEGEEQIRGALAEARKIAE
LCDDPKERDDILRSLGEISALTSKLADLRRQGKGDSPEARALAKQVATALQNLQTKTNRA
VANSRPAKAAVHLEGKIEQAQRWIDNPTVDDRGVGQAAIRGLVAEGHRLANVMMGPYRQD
LLAKCDRVDQLTAQLADLAARGEGESPQARALASQLQDSLKDLKARMQEAMTQEVSDVFS
DTTTPIKLLAVAATAPPDAPNREEVFDERAANFENHSGKLGATAEKAAAVGTANKSTVEG
IQASVKTARELTPQVVSAARILLRNPGNQAAYEHFETMKNQWIDNVEKMTGLVDEAIDTK
SLLDASEEAIKKDLDKCKVAMANIQPQMLVAGATSIARRANRILLVAKREVENSEDPKFR
EAVKAASDELSKTISPMVMDAKAVAGNISDPGLQKSFLDSGYRILGAVAKVREAFQPQEP
DFPPPPPDLEQLRLTDELAPPKPPLPEGEVPPPRPPPPEEKDEEFPEQKAGEVINQPMMM
AARQLHDEARKWSSKPGIPAAEVGIGVVAEADAADAAGFPVPPDMEDDYEPELLLMPSNQ
PVNQPILAAAQSLHREATKWSSKGNDIIAAAKRMALLMAEMSRLVRGGSGTKRALIQCAK
DIAKASDEVTRLAKEVAKQCTDKRIRTNLLQVCERIPTISTQLKILSTVKATMLGRTNIS
DEESEQATEMLVHNAQNLMQSVKETVREAEAASIKIRTDAGFTLRWVRKTPWYQ
Target Bioclass
Other
Family
Vinculin/alpha-catenin family
Subcellular location
Cell membrane
Function
Actin filament (F-actin)-binding protein involved in cell-matrix adhesion and cell-cell adhesion. Regulates cell-surface E-cadherin expression and potentiates mechanosensing by the E-cadherin complex. May also play important roles in cell morphology and locomotion.
Uniprot ID
P18206
Ensemble ID
ENST00000211998.10
HGNC ID
HGNC:12665
ChEMBL ID
CHEMBL4295723

Target Site Mutations in Different Cell Lines

Cell line Mutation details Probe for labeling this protein in this cell
786O SNV: p.R502G DBIA    Probe Info 
A549 SNV: p.D447H DBIA    Probe Info 
HCT15 SNV: p.L395F DBIA    Probe Info 
JURKAT SNV: p.S795F .
LS180 SNV: p.V1069A .
NCIH2291 SNV: p.S290F DBIA    Probe Info 
RH30 Insertion: p.K1043RfsTer2 .
TE4 SNV: p.I794F DBIA    Probe Info 

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 37 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
A-EBA
 Probe Info  		3.42  LDD0215  [1]
CY4
 Probe Info  		100.00  LDD0244  [2]
YN-1
 Probe Info  		100.00  LDD0444  [3]
ONAyne
 Probe Info  		K1012(6.93); K1034(1.73); K276(5.56); K366(2.50)  LDD0274  [4]
BTD
 Probe Info  		C545(2.90); C737(3.20); C325(3.26); C85(3.65)  LDD1699  [5]
AZ-9
 Probe Info  		E707(10.00)  LDD2208  [6]
OPA-S-S-alkyne
 Probe Info  		K778(1.12); K316(1.77); K453(3.28)  LDD3494  [7]
Probe 1
 Probe Info  		Y107(16.21); Y537(16.86); Y822(21.45)  LDD3495  [8]
JZ128-DTB
 Probe Info  		N.A.  LDD0462  [9]
HHS-482
 Probe Info  		Y107(0.51); Y822(1.14)  LDD0285  [10]
HHS-475
 Probe Info  		Y100(0.54); Y537(0.70); Y692(1.06); Y107(1.09)  LDD0264  [11]
HHS-465
 Probe Info  		Y107(10.00); Y1133(10.00); Y537(10.00); Y692(10.00)  LDD2237  [12]
DBIA
 Probe Info  		C85(0.97)  LDD0078  [13]
5E-2FA
 Probe Info  		H636(0.00); H184(0.00)  LDD2235  [14]
ATP probe
 Probe Info  		K316(0.00); K1020(0.00); K464(0.00); K731(0.00)  LDD0199  [15]
m-APA
 Probe Info  		H184(0.00); H1093(0.00)  LDD2231  [14]
4-Iodoacetamidophenylacetylene
 Probe Info  		C85(0.00); C545(0.00)  LDD0038  [16]
IA-alkyne
 Probe Info  		N.A.  LDD0036  [16]
Lodoacetamide azide
 Probe Info  		N.A.  LDD0037  [16]
ATP probe
 Probe Info  		K210(0.00); K815(0.00); K639(0.00); K59(0.00)  LDD0035  [17]
TFBX
 Probe Info  		C1018(0.00); C1053(0.00)  LDD0027  [18]
WYneC
 Probe Info  		N.A.  LDD0014  [19]
WYneN
 Probe Info  		N.A.  LDD0021  [19]
WYneO
 Probe Info  		N.A.  LDD0022  [19]
1d-yne
 Probe Info  		K352(0.00); K366(0.00)  LDD0356  [20]
ENE
 Probe Info  		C422(0.00); C313(0.00)  LDD0006  [19]
IPM
 Probe Info  		N.A.  LDD0005  [19]
NHS
 Probe Info  		K639(0.00); K59(0.00); K366(0.00); K464(0.00)  LDD0010  [19]
SF
 Probe Info  		Y107(0.00); Y822(0.00); K366(0.00)  LDD0028  [21]
STPyne
 Probe Info  		K639(0.00); K464(0.00)  LDD0009  [19]
VSF
 Probe Info  		N.A.  LDD0007  [19]
Ox-W18
 Probe Info  		W253(0.00); W394(0.00); W503(0.00)  LDD2175  [22]
1c-yne
 Probe Info  		K646(0.00); K655(0.00); K699(0.00); K352(0.00)  LDD0228  [20]
Acrolein
 Probe Info  		H1093(0.00); H184(0.00); C1053(0.00); C422(0.00)  LDD0217  [23]
Cinnamaldehyde
 Probe Info  		N.A.  LDD0220  [23]
Crotonaldehyde
 Probe Info  		N.A.  LDD0219  [23]
Methacrolein
 Probe Info  		C1053(0.00); H527(0.00)  LDD0218  [23]
PAL-AfBPP Probe
Click To Hide/Show 4 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
FFF probe14
 Probe Info  		20.00  LDD0477  [24]
FFF probe2
 Probe Info  		12.81  LDD0463  [24]
VE-P
 Probe Info  		N.A.  LDD0396  [25]
STS-1
 Probe Info  		N.A.  LDD0069  [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 C545(0.22); C1053(0.28); C325(0.24)  LDD2142  [5]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C1040(0.55); C545(0.43); C1053(0.36); C313(0.38)  LDD2112  [5]
 LDCM0502  1-(Cyanoacetyl)piperidine MDA-MB-231 C85(1.03); C1040(0.68); C545(0.65); C1053(0.65)  LDD2095  [5]
 LDCM0537  2-Cyano-N,N-dimethylacetamide MDA-MB-231 C85(1.44); C545(1.45); C313(0.95); C737(0.92)  LDD2130  [5]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C1040(0.74); C545(0.71); C1053(0.84); C313(0.68)  LDD2117  [5]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C85(1.03); C1040(1.25); C545(1.10); C1053(0.93)  LDD2152  [5]
 LDCM0510  3-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-3-oxopropanenitrile MDA-MB-231 C85(0.94); C313(0.86); C325(1.47)  LDD2103  [5]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C85(0.75); C545(0.39); C313(0.50); C737(0.24)  LDD2132  [5]
 LDCM0538  4-(Cyanoacetyl)morpholine MDA-MB-231 C85(0.77); C1053(0.78); C313(0.68); C737(0.56)  LDD2131  [5]
 LDCM0214  AC1 HCT 116 C1053(0.99); C85(1.19)  LDD0531  [13]
 LDCM0215  AC10 HCT 116 C1018(0.80); C1053(1.05); C85(1.13)  LDD0532  [13]
 LDCM0216  AC100 HCT 116 C1018(1.11); C1053(0.75); C85(1.00)  LDD0533  [13]
 LDCM0217  AC101 HCT 116 C1018(1.00); C1053(0.78); C85(0.93)  LDD0534  [13]
 LDCM0218  AC102 HCT 116 C1018(1.07); C1053(0.83); C85(0.96)  LDD0535  [13]
 LDCM0219  AC103 HCT 116 C1018(1.07); C1053(0.70); C85(0.98)  LDD0536  [13]
 LDCM0220  AC104 HCT 116 C1018(1.07); C1053(1.06); C85(0.93)  LDD0537  [13]
 LDCM0221  AC105 HCT 116 C1018(0.95); C1053(0.72); C85(0.89)  LDD0538  [13]
 LDCM0222  AC106 HCT 116 C1018(1.07); C1053(0.64); C85(0.84)  LDD0539  [13]
 LDCM0223  AC107 HCT 116 C1018(1.03); C1053(0.76); C85(0.91)  LDD0540  [13]
 LDCM0224  AC108 HCT 116 C1018(0.97); C1053(0.78); C85(0.96)  LDD0541  [13]
 LDCM0225  AC109 HCT 116 C1018(1.13); C1053(1.01); C85(0.92)  LDD0542  [13]
 LDCM0226  AC11 HCT 116 C1018(0.76); C1053(0.95); C85(0.97)  LDD0543  [13]
 LDCM0227  AC110 HCT 116 C1018(0.94); C1053(0.67); C85(0.95)  LDD0544  [13]
 LDCM0228  AC111 HCT 116 C1018(0.87); C1053(0.69); C85(0.93)  LDD0545  [13]
 LDCM0229  AC112 HCT 116 C1018(1.01); C1053(0.67); C85(0.99)  LDD0546  [13]
 LDCM0230  AC113 HCT 116 C1018(1.09); C1053(1.05); C85(1.09)  LDD0547  [13]
 LDCM0231  AC114 HCT 116 C1018(0.98); C1053(0.94); C85(1.01)  LDD0548  [13]
 LDCM0232  AC115 HCT 116 C1018(1.18); C1053(0.86); C85(1.09)  LDD0549  [13]
 LDCM0233  AC116 HCT 116 C1018(1.07); C1053(1.08); C85(1.04)  LDD0550  [13]
 LDCM0234  AC117 HCT 116 C1018(1.23); C1053(1.16); C85(1.11)  LDD0551  [13]
 LDCM0235  AC118 HCT 116 C1018(0.95); C1053(0.95); C85(1.01)  LDD0552  [13]
 LDCM0236  AC119 HCT 116 C1018(1.04); C1053(0.84); C85(1.11)  LDD0553  [13]
 LDCM0237  AC12 HCT 116 C1018(0.85); C1053(0.91); C85(1.04)  LDD0554  [13]
 LDCM0238  AC120 HCT 116 C1018(0.98); C1053(0.98); C85(1.00)  LDD0555  [13]
 LDCM0239  AC121 HCT 116 C1018(1.34); C1053(0.86); C85(1.15)  LDD0556  [13]
 LDCM0240  AC122 HCT 116 C1018(1.02); C1053(1.12); C85(1.22)  LDD0557  [13]
 LDCM0241  AC123 HCT 116 C1018(1.29); C1053(0.76); C85(1.11)  LDD0558  [13]
 LDCM0242  AC124 HCT 116 C1018(1.16); C1053(0.92); C85(1.13)  LDD0559  [13]
 LDCM0243  AC125 HCT 116 C1018(0.94); C1053(1.00); C85(1.13)  LDD0560  [13]
 LDCM0244  AC126 HCT 116 C1018(0.94); C1053(1.14); C85(1.21)  LDD0561  [13]
 LDCM0245  AC127 HCT 116 C1018(1.05); C1053(0.99); C85(1.23)  LDD0562  [13]
 LDCM0246  AC128 HCT 116 C1053(1.30)  LDD0563  [13]
 LDCM0247  AC129 HCT 116 C1053(1.42)  LDD0564  [13]
 LDCM0249  AC130 HCT 116 C1053(1.04)  LDD0566  [13]
 LDCM0250  AC131 HCT 116 C1053(1.15)  LDD0567  [13]
 LDCM0251  AC132 HCT 116 C1053(1.13)  LDD0568  [13]
 LDCM0252  AC133 HCT 116 C1053(1.27)  LDD0569  [13]
 LDCM0253  AC134 HCT 116 C1053(0.99)  LDD0570  [13]
 LDCM0254  AC135 HCT 116 C1053(1.19)  LDD0571  [13]
 LDCM0255  AC136 HCT 116 C1053(1.03)  LDD0572  [13]
 LDCM0256  AC137 HCT 116 C1053(0.98)  LDD0573  [13]
 LDCM0257  AC138 HCT 116 C1053(0.91)  LDD0574  [13]
 LDCM0258  AC139 HCT 116 C1053(0.88)  LDD0575  [13]
 LDCM0259  AC14 HCT 116 C1018(0.89); C1053(0.92); C85(0.92)  LDD0576  [13]
 LDCM0260  AC140 HCT 116 C1053(0.81)  LDD0577  [13]
 LDCM0261  AC141 HCT 116 C1053(0.90)  LDD0578  [13]
 LDCM0262  AC142 HCT 116 C1053(1.07)  LDD0579  [13]
 LDCM0263  AC143 HCT 116 C1053(0.68); C85(1.35)  LDD0580  [13]
 LDCM0264  AC144 HCT 116 C1053(0.84); C85(1.07)  LDD0581  [13]
 LDCM0265  AC145 HCT 116 C85(1.08); C1053(1.20)  LDD0582  [13]
 LDCM0266  AC146 HCT 116 C85(1.11); C1053(1.47)  LDD0583  [13]
 LDCM0267  AC147 HCT 116 C1053(0.88); C85(1.07)  LDD0584  [13]
 LDCM0268  AC148 HCT 116 C85(1.14); C1053(1.19)  LDD0585  [13]
 LDCM0269  AC149 HCT 116 C85(1.08); C1053(1.66)  LDD0586  [13]
 LDCM0270  AC15 HCT 116 C1018(0.75); C85(0.89); C1053(0.89)  LDD0587  [13]
 LDCM0271  AC150 HCT 116 C1053(1.34); C85(1.40)  LDD0588  [13]
 LDCM0272  AC151 HCT 116 C85(0.90); C1053(1.03)  LDD0589  [13]
 LDCM0273  AC152 HCT 116 C85(0.93); C1053(1.34)  LDD0590  [13]
 LDCM0274  AC153 HCT 116 C85(0.98); C1053(1.59)  LDD0591  [13]
 LDCM0621  AC154 HCT 116 C1053(0.96); C85(0.85)  LDD2158  [13]
 LDCM0622  AC155 HCT 116 C1053(1.20); C85(0.89)  LDD2159  [13]
 LDCM0623  AC156 HCT 116 C1053(1.43); C85(0.88)  LDD2160  [13]
 LDCM0624  AC157 HCT 116 C1053(1.13); C85(0.75)  LDD2161  [13]
 LDCM0276  AC17 HCT 116 C85(0.95); C1053(0.98)  LDD0593  [13]
 LDCM0277  AC18 HCT 116 C85(0.96); C1053(1.12)  LDD0594  [13]
 LDCM0278  AC19 HCT 116 C1053(1.05); C85(1.11)  LDD0595  [13]
 LDCM0279  AC2 HCT 116 C1053(0.99); C85(1.07)  LDD0596  [13]
 LDCM0280  AC20 HCT 116 C1053(0.91); C85(1.21)  LDD0597  [13]
 LDCM0281  AC21 HCT 116 C1053(0.93); C85(1.00)  LDD0598  [13]
 LDCM0282  AC22 HCT 116 C1053(1.03); C85(1.09)  LDD0599  [13]
 LDCM0283  AC23 HCT 116 C85(0.88); C1053(0.91)  LDD0600  [13]
 LDCM0284  AC24 HCT 116 C1053(0.98); C85(1.14)  LDD0601  [13]
 LDCM0285  AC25 HCT 116 C1053(0.82); C85(1.17)  LDD0602  [13]
 LDCM0286  AC26 HCT 116 C1053(1.17); C85(1.27)  LDD0603  [13]
 LDCM0287  AC27 HCT 116 C1053(0.83); C85(1.56)  LDD0604  [13]
 LDCM0288  AC28 HCT 116 C1053(1.24); C85(1.54)  LDD0605  [13]
 LDCM0289  AC29 HCT 116 C1053(0.79); C85(1.18)  LDD0606  [13]
 LDCM0290  AC3 HCT 116 C1053(1.08); C85(1.16)  LDD0607  [13]
 LDCM0291  AC30 HCT 116 C1053(0.77); C85(1.78)  LDD0608  [13]
 LDCM0292  AC31 HCT 116 C1053(0.88); C85(0.99)  LDD0609  [13]
 LDCM0293  AC32 HCT 116 C1053(0.76); C85(0.97)  LDD0610  [13]
 LDCM0294  AC33 HCT 116 C1053(0.89); C85(1.06)  LDD0611  [13]
 LDCM0295  AC34 HCT 116 C1053(1.14); C85(1.26)  LDD0612  [13]
 LDCM0296  AC35 HCT 116 C1018(0.95); C85(0.98); C1053(1.14)  LDD0613  [13]
 LDCM0297  AC36 HCT 116 C1018(0.79); C1053(0.94); C85(0.95)  LDD0614  [13]
 LDCM0298  AC37 HCT 116 C1018(0.77); C85(0.91); C1053(0.97)  LDD0615  [13]
 LDCM0299  AC38 HCT 116 C1053(0.87); C1018(0.88); C85(0.99)  LDD0616  [13]
 LDCM0300  AC39 HCT 116 C85(0.94); C1053(1.02); C1018(1.06)  LDD0617  [13]
 LDCM0301  AC4 HCT 116 C85(1.14); C1053(1.15)  LDD0618  [13]
 LDCM0302  AC40 HCT 116 C1053(0.88); C85(0.90); C1018(0.97)  LDD0619  [13]
 LDCM0303  AC41 HCT 116 C1018(0.77); C1053(0.89); C85(1.04)  LDD0620  [13]
 LDCM0304  AC42 HCT 116 C1053(0.84); C1018(0.90); C85(0.91)  LDD0621  [13]
 LDCM0305  AC43 HCT 116 C1053(0.81); C1018(0.92); C85(0.93)  LDD0622  [13]
 LDCM0306  AC44 HCT 116 C1018(0.88); C1053(0.92); C85(1.04)  LDD0623  [13]
 LDCM0307  AC45 HCT 116 C1053(0.90); C1018(0.97); C85(1.10)  LDD0624  [13]
 LDCM0308  AC46 HCT 116 C1018(0.73); C1053(0.80); C85(0.87)  LDD0625  [13]
 LDCM0309  AC47 HCT 116 C1053(0.81); C1018(0.96); C85(1.06)  LDD0626  [13]
 LDCM0310  AC48 HCT 116 C1053(0.76); C1018(0.97); C85(0.98)  LDD0627  [13]
 LDCM0311  AC49 HCT 116 C1018(0.81); C1053(0.88); C85(0.92)  LDD0628  [13]
 LDCM0312  AC5 HCT 116 C85(1.20); C1053(1.20)  LDD0629  [13]
 LDCM0313  AC50 HCT 116 C1053(0.82); C1018(0.89); C85(0.91)  LDD0630  [13]
 LDCM0314  AC51 HCT 116 C1053(0.81); C1018(0.98); C85(0.98)  LDD0631  [13]
 LDCM0315  AC52 HCT 116 C1053(0.85); C1018(0.97); C85(1.11)  LDD0632  [13]
 LDCM0316  AC53 HCT 116 C1018(0.88); C85(0.93); C1053(0.95)  LDD0633  [13]
 LDCM0317  AC54 HCT 116 C1053(0.82); C85(1.10); C1018(1.15)  LDD0634  [13]
 LDCM0318  AC55 HCT 116 C1018(0.95); C85(1.11); C1053(1.12)  LDD0635  [13]
 LDCM0319  AC56 HCT 116 C1053(0.72); C1018(1.03); C85(1.11)  LDD0636  [13]
 LDCM0320  AC57 HCT 116 C1018(0.61); C1053(0.95)  LDD0637  [13]
 LDCM0321  AC58 HCT 116 C1018(0.52); C1053(0.95)  LDD0638  [13]
 LDCM0322  AC59 HCT 116 C1018(0.73); C1053(0.95)  LDD0639  [13]
 LDCM0323  AC6 HCT 116 C1018(0.71); C1053(0.84); C85(1.05)  LDD0640  [13]
 LDCM0324  AC60 HCT 116 C1018(0.50); C1053(0.83)  LDD0641  [13]
 LDCM0325  AC61 HCT 116 C1018(0.52); C1053(0.93)  LDD0642  [13]
 LDCM0326  AC62 HCT 116 C1018(0.59); C1053(0.96)  LDD0643  [13]
 LDCM0327  AC63 HCT 116 C1018(0.54); C1053(0.84)  LDD0644  [13]
 LDCM0328  AC64 HCT 116 C1018(0.53); C1053(1.10)  LDD0645  [13]
 LDCM0329  AC65 HCT 116 C1018(0.61); C1053(0.98)  LDD0646  [13]
 LDCM0330  AC66 HCT 116 C1018(0.65); C1053(1.01)  LDD0647  [13]
 LDCM0331  AC67 HCT 116 C1018(0.38); C1053(1.00)  LDD0648  [13]
 LDCM0332  AC68 HCT 116 C1018(0.61); C1053(0.74); C85(0.97)  LDD0649  [13]
 LDCM0333  AC69 HCT 116 C1018(0.51); C1053(0.78); C85(0.91)  LDD0650  [13]
 LDCM0334  AC7 HCT 116 C1018(0.83); C1053(1.07); C85(1.32)  LDD0651  [13]
 LDCM0335  AC70 HCT 116 C1018(0.43); C1053(0.79); C85(1.03)  LDD0652  [13]
 LDCM0336  AC71 HCT 116 C1053(0.73); C1018(0.77); C85(0.97)  LDD0653  [13]
 LDCM0337  AC72 HCT 116 C1018(0.53); C1053(0.74); C85(0.93)  LDD0654  [13]
 LDCM0338  AC73 HCT 116 C1018(0.38); C1053(0.62); C85(0.93)  LDD0655  [13]
 LDCM0339  AC74 HCT 116 C1018(0.32); C1053(0.72); C85(0.83)  LDD0656  [13]
 LDCM0340  AC75 HCT 116 C1018(0.30); C1053(0.83); C85(0.97)  LDD0657  [13]
 LDCM0341  AC76 HCT 116 C1018(0.59); C1053(0.73); C85(1.02)  LDD0658  [13]
 LDCM0342  AC77 HCT 116 C1018(0.67); C1053(0.68); C85(1.17)  LDD0659  [13]
 LDCM0343  AC78 HCT 116 C1018(0.57); C1053(0.72); C85(0.92)  LDD0660  [13]
 LDCM0344  AC79 HCT 116 C1018(0.67); C1053(0.75); C85(0.99)  LDD0661  [13]
 LDCM0345  AC8 HCT 116 C1018(0.78); C1053(0.92); C85(1.20)  LDD0662  [13]
 LDCM0346  AC80 HCT 116 C1018(0.42); C1053(0.70); C85(0.97)  LDD0663  [13]
 LDCM0347  AC81 HCT 116 C1018(0.56); C1053(0.74); C85(0.95)  LDD0664  [13]
 LDCM0348  AC82 HCT 116 C1018(0.26); C1053(0.77); C85(0.90)  LDD0665  [13]
 LDCM0349  AC83 HCT 116 C1053(1.00); C85(1.06)  LDD0666  [13]
 LDCM0350  AC84 HCT 116 C85(0.95); C1053(1.04)  LDD0667  [13]
 LDCM0351  AC85 HCT 116 C1053(0.92); C85(1.03)  LDD0668  [13]
 LDCM0352  AC86 HCT 116 C1053(0.98); C85(0.99)  LDD0669  [13]
 LDCM0353  AC87 HCT 116 C85(0.85); C1053(0.96)  LDD0670  [13]
 LDCM0354  AC88 HCT 116 C85(0.90); C1053(1.14)  LDD0671  [13]
 LDCM0355  AC89 HCT 116 C85(0.90); C1053(1.19)  LDD0672  [13]
 LDCM0357  AC90 HCT 116 C85(0.94); C1053(1.32)  LDD0674  [13]
 LDCM0358  AC91 HCT 116 C85(0.78); C1053(1.02)  LDD0675  [13]
 LDCM0359  AC92 HCT 116 C85(0.83); C1053(1.26)  LDD0676  [13]
 LDCM0360  AC93 HCT 116 C85(0.88); C1053(1.06)  LDD0677  [13]
 LDCM0361  AC94 HCT 116 C85(0.67); C1053(1.23)  LDD0678  [13]
 LDCM0362  AC95 HCT 116 C85(0.67); C1053(1.21)  LDD0679  [13]
 LDCM0363  AC96 HCT 116 C85(0.79); C1053(1.26)  LDD0680  [13]
 LDCM0364  AC97 HCT 116 C85(0.70); C1053(1.12)  LDD0681  [13]
 LDCM0365  AC98 HCT 116 C1053(0.68); C1018(0.84); C85(0.98)  LDD0682  [13]
 LDCM0366  AC99 HCT 116 C1053(0.78); C1018(1.00); C85(1.08)  LDD0683  [13]
 LDCM0545  Acetamide MDA-MB-231 C85(0.52); C1040(0.50); C545(0.56); C1053(0.62)  LDD2138  [5]
 LDCM0520  AKOS000195272 MDA-MB-231 C85(0.58); C545(0.69); C1053(0.62); C313(0.62)  LDD2113  [5]
 LDCM0248  AKOS034007472 HCT 116 C1018(1.16); C1053(1.06); C85(0.88)  LDD0565  [13]
 LDCM0356  AKOS034007680 HCT 116 C85(0.95); C1018(0.95); C1053(1.15)  LDD0673  [13]
 LDCM0275  AKOS034007705 HCT 116 C1018(0.70); C1053(0.82); C85(1.08)  LDD0592  [13]
 LDCM0020  ARS-1620 HCC44 C85(0.97)  LDD0078  [13]
 LDCM0498  BS-3668 MDA-MB-231 C85(0.58); C1040(0.64); C545(0.65); C1053(0.81)  LDD2091  [5]
 LDCM0108  Chloroacetamide HeLa H1093(0.00); H184(0.00); C1053(0.00); H187(0.00)  LDD0222  [23]
 LDCM0367  CL1 HCT 116 C85(0.93); C1053(1.06); C1018(1.14)  LDD0684  [13]
 LDCM0368  CL10 HCT 116 C1053(0.78); C1018(0.88); C85(1.02)  LDD0685  [13]
 LDCM0369  CL100 HCT 116 C1053(0.96); C85(1.12)  LDD0686  [13]
 LDCM0370  CL101 HCT 116 C1018(0.80); C1053(0.87); C85(0.94)  LDD0687  [13]
 LDCM0371  CL102 HCT 116 C85(0.95); C1053(1.00); C1018(1.01)  LDD0688  [13]
 LDCM0372  CL103 HCT 116 C1053(0.98); C85(0.99); C1018(1.03)  LDD0689  [13]
 LDCM0373  CL104 HCT 116 C85(1.00); C1053(1.01); C1018(1.23)  LDD0690  [13]
 LDCM0374  CL105 HCT 116 C85(1.03); C1053(1.06)  LDD0691  [13]
 LDCM0375  CL106 HCT 116 C1053(1.15); C85(1.29)  LDD0692  [13]
 LDCM0376  CL107 HCT 116 C1053(0.86); C85(0.94)  LDD0693  [13]
 LDCM0377  CL108 HCT 116 C1053(1.06); C85(1.53)  LDD0694  [13]
 LDCM0378  CL109 HCT 116 C1053(0.73); C85(0.95)  LDD0695  [13]
 LDCM0379  CL11 HCT 116 C1053(0.77); C1018(0.82); C85(0.96)  LDD0696  [13]
 LDCM0380  CL110 HCT 116 C1053(0.99); C85(1.10)  LDD0697  [13]
 LDCM0381  CL111 HCT 116 C1053(0.96); C85(0.96)  LDD0698  [13]
 LDCM0382  CL112 HCT 116 C1053(0.59); C85(1.09)  LDD0699  [13]
 LDCM0383  CL113 HCT 116 C1053(0.74); C85(0.93)  LDD0700  [13]
 LDCM0384  CL114 HCT 116 C1053(0.67); C85(0.77)  LDD0701  [13]
 LDCM0385  CL115 HCT 116 C1053(0.70); C85(0.79)  LDD0702  [13]
 LDCM0386  CL116 HCT 116 C1053(0.81); C85(0.83)  LDD0703  [13]
 LDCM0387  CL117 HCT 116 C1053(0.79); C85(0.95); C1018(1.10)  LDD0704  [13]
 LDCM0388  CL118 HCT 116 C1018(0.78); C85(0.87); C1053(0.97)  LDD0705  [13]
 LDCM0389  CL119 HCT 116 C1018(0.82); C85(0.96); C1053(0.97)  LDD0706  [13]
 LDCM0390  CL12 HCT 116 C1053(0.77); C85(0.98); C1018(1.04)  LDD0707  [13]
 LDCM0391  CL120 HCT 116 C1018(0.82); C1053(0.99); C85(1.05)  LDD0708  [13]
 LDCM0392  CL121 HCT 116 C1053(0.83); C1018(0.98); C85(1.04)  LDD0709  [13]
 LDCM0393  CL122 HCT 116 C1053(0.94); C85(0.94); C1018(1.00)  LDD0710  [13]
 LDCM0394  CL123 HCT 116 C85(0.94); C1053(0.96); C1018(1.05)  LDD0711  [13]
 LDCM0395  CL124 HCT 116 C1053(0.75); C1018(0.93); C85(1.06)  LDD0712  [13]
 LDCM0396  CL125 HCT 116 C1053(0.96); C1018(1.53)  LDD0713  [13]
 LDCM0397  CL126 HCT 116 C1018(0.81); C1053(0.92)  LDD0714  [13]
 LDCM0398  CL127 HCT 116 C1018(0.89); C1053(0.99)  LDD0715  [13]
 LDCM0399  CL128 HCT 116 C1018(0.76); C1053(0.97)  LDD0716  [13]
 LDCM0400  CL13 HCT 116 C1018(0.73); C1053(0.84); C85(0.93)  LDD0717  [13]
 LDCM0401  CL14 HCT 116 C85(0.84); C1053(0.86); C1018(1.00)  LDD0718  [13]
 LDCM0402  CL15 HCT 116 C1018(0.39); C1053(0.73); C85(0.82)  LDD0719  [13]
 LDCM0403  CL16 HCT 116 C1018(0.84); C1053(0.96); C85(1.06)  LDD0720  [13]
 LDCM0404  CL17 HCT 116 C1018(0.70); C1053(0.85); C85(1.10)  LDD0721  [13]
 LDCM0405  CL18 HCT 116 C1018(0.49); C1053(1.01); C85(1.14)  LDD0722  [13]
 LDCM0406  CL19 HCT 116 C1018(0.62); C85(0.83); C1053(1.09)  LDD0723  [13]
 LDCM0407  CL2 HCT 116 C1053(0.87); C85(0.99); C1018(1.14)  LDD0724  [13]
 LDCM0408  CL20 HCT 116 C1018(0.70); C1053(0.88); C85(0.91)  LDD0725  [13]
 LDCM0409  CL21 HCT 116 C1018(0.59); C1053(0.80); C85(0.91)  LDD0726  [13]
 LDCM0410  CL22 HCT 116 C1018(0.54); C1053(0.82); C85(0.83)  LDD0727  [13]
 LDCM0411  CL23 HCT 116 C1018(0.80); C1053(0.82); C85(1.12)  LDD0728  [13]
 LDCM0412  CL24 HCT 116 C1018(0.64); C1053(0.94); C85(0.85)  LDD0729  [13]
 LDCM0413  CL25 HCT 116 C1018(0.69); C1053(0.85); C85(0.93)  LDD0730  [13]
 LDCM0414  CL26 HCT 116 C1018(0.74); C1053(0.85); C85(0.90)  LDD0731  [13]
 LDCM0415  CL27 HCT 116 C1018(0.82); C1053(1.12); C85(0.76)  LDD0732  [13]
 LDCM0416  CL28 HCT 116 C1018(0.69); C1053(1.00); C85(0.78)  LDD0733  [13]
 LDCM0417  CL29 HCT 116 C1018(0.71); C1053(0.89); C85(0.75)  LDD0734  [13]
 LDCM0418  CL3 HCT 116 C1018(0.97); C1053(0.79); C85(0.97)  LDD0735  [13]
 LDCM0419  CL30 HCT 116 C1018(0.76); C1053(0.96); C85(0.68)  LDD0736  [13]
 LDCM0420  CL31 HCT 116 C1018(1.14); C1053(0.86); C85(0.93)  LDD0737  [13]
 LDCM0421  CL32 HCT 116 C1018(0.91); C1053(0.70); C85(0.99)  LDD0738  [13]
 LDCM0422  CL33 HCT 116 C1018(0.88); C1053(0.58); C85(0.95)  LDD0739  [13]
 LDCM0423  CL34 HCT 116 C1018(1.02); C1053(0.74); C85(0.95)  LDD0740  [13]
 LDCM0424  CL35 HCT 116 C1018(0.94); C1053(0.68); C85(1.04)  LDD0741  [13]
 LDCM0425  CL36 HCT 116 C1018(0.92); C1053(0.77); C85(0.85)  LDD0742  [13]
 LDCM0426  CL37 HCT 116 C1018(0.91); C1053(0.68); C85(1.00)  LDD0743  [13]
 LDCM0428  CL39 HCT 116 C1018(1.01); C1053(0.83); C85(1.05)  LDD0745  [13]
 LDCM0429  CL4 HCT 116 C1018(1.32); C1053(0.77); C85(0.80)  LDD0746  [13]
 LDCM0430  CL40 HCT 116 C1018(0.87); C1053(0.75); C85(0.95)  LDD0747  [13]
 LDCM0431  CL41 HCT 116 C1018(0.87); C1053(0.76); C85(0.87)  LDD0748  [13]
 LDCM0432  CL42 HCT 116 C1018(0.84); C1053(0.52); C85(1.08)  LDD0749  [13]
 LDCM0433  CL43 HCT 116 C1018(0.99); C1053(0.62); C85(0.90)  LDD0750  [13]
 LDCM0434  CL44 HCT 116 C1018(0.99); C1053(0.62); C85(0.91)  LDD0751  [13]
 LDCM0435  CL45 HCT 116 C1018(0.98); C1053(0.74); C85(0.92)  LDD0752  [13]
 LDCM0436  CL46 HCT 116 C1053(1.40); C85(1.00)  LDD0753  [13]
 LDCM0437  CL47 HCT 116 C1053(1.46); C85(0.98)  LDD0754  [13]
 LDCM0438  CL48 HCT 116 C1053(1.53); C85(0.93)  LDD0755  [13]
 LDCM0439  CL49 HCT 116 C1053(1.36); C85(0.91)  LDD0756  [13]
 LDCM0440  CL5 HCT 116 C1018(0.97); C1053(0.96); C85(0.94)  LDD0757  [13]
 LDCM0441  CL50 HCT 116 C1053(1.34); C85(0.94)  LDD0758  [13]
 LDCM0442  CL51 HCT 116 C1053(1.68); C85(0.96)  LDD0759  [13]
 LDCM0443  CL52 HCT 116 C1053(1.46); C85(0.88)  LDD0760  [13]
 LDCM0444  CL53 HCT 116 C1053(1.16); C85(0.91)  LDD0761  [13]
 LDCM0445  CL54 HCT 116 C1053(1.35); C85(0.91)  LDD0762  [13]
 LDCM0446  CL55 HCT 116 C1053(1.55); C85(0.93)  LDD0763  [13]
 LDCM0447  CL56 HCT 116 C1053(1.36); C85(0.88)  LDD0764  [13]
 LDCM0448  CL57 HCT 116 C1053(1.44); C85(0.72)  LDD0765  [13]
 LDCM0449  CL58 HCT 116 C1053(1.35); C85(0.79)  LDD0766  [13]
 LDCM0450  CL59 HCT 116 C1053(1.31); C85(0.81)  LDD0767  [13]
 LDCM0451  CL6 HCT 116 C1018(0.70); C1053(0.76); C85(0.86)  LDD0768  [13]
 LDCM0452  CL60 HCT 116 C1053(1.14); C85(0.79)  LDD0769  [13]
 LDCM0453  CL61 HCT 116 C1018(0.92); C1053(1.51); C85(1.03)  LDD0770  [13]
 LDCM0454  CL62 HCT 116 C1018(0.84); C1053(1.41); C85(0.81)  LDD0771  [13]
 LDCM0455  CL63 HCT 116 C1018(0.75); C1053(1.01); C85(0.97)  LDD0772  [13]
 LDCM0456  CL64 HCT 116 C1018(0.71); C1053(1.45); C85(1.13)  LDD0773  [13]
 LDCM0457  CL65 HCT 116 C1018(0.92); C1053(1.42); C85(0.99)  LDD0774  [13]
 LDCM0458  CL66 HCT 116 C1018(0.67); C1053(1.27); C85(0.92)  LDD0775  [13]
 LDCM0459  CL67 HCT 116 C1018(0.67); C1053(1.13); C85(0.93)  LDD0776  [13]
 LDCM0460  CL68 HCT 116 C1018(0.60); C1053(1.22); C85(0.97)  LDD0777  [13]
 LDCM0461  CL69 HCT 116 C1018(0.57); C1053(1.13); C85(0.87)  LDD0778  [13]
 LDCM0462  CL7 HCT 116 C1018(0.90); C1053(0.83); C85(0.95)  LDD0779  [13]
 LDCM0463  CL70 HCT 116 C1018(0.59); C1053(1.17); C85(1.05)  LDD0780  [13]
 LDCM0464  CL71 HCT 116 C1018(0.69); C1053(0.98); C85(1.05)  LDD0781  [13]
 LDCM0465  CL72 HCT 116 C1018(0.98); C1053(1.58); C85(0.89)  LDD0782  [13]
 LDCM0466  CL73 HCT 116 C1018(0.71); C1053(1.42); C85(1.02)  LDD0783  [13]
 LDCM0467  CL74 HCT 116 C1018(0.71); C1053(1.28); C85(0.85)  LDD0784  [13]
 LDCM0469  CL76 HCT 116 C1018(0.77); C1053(0.75); C85(0.92)  LDD0786  [13]
 LDCM0470  CL77 HCT 116 C1018(0.71); C1053(0.74); C85(0.85)  LDD0787  [13]
 LDCM0471  CL78 HCT 116 C1018(1.08); C1053(0.85); C85(1.11)  LDD0788  [13]
 LDCM0472  CL79 HCT 116 C1018(0.71); C1053(0.78); C85(1.14)  LDD0789  [13]
 LDCM0473  CL8 HCT 116 C1018(0.73); C1053(0.63); C85(0.89)  LDD0790  [13]
 LDCM0474  CL80 HCT 116 C1018(0.72); C1053(0.95); C85(0.95)  LDD0791  [13]
 LDCM0475  CL81 HCT 116 C1018(0.78); C1053(0.84); C85(0.94)  LDD0792  [13]
 LDCM0476  CL82 HCT 116 C1018(0.53); C1053(0.96); C85(1.11)  LDD0793  [13]
 LDCM0477  CL83 HCT 116 C1018(0.56); C1053(0.73); C85(1.08)  LDD0794  [13]
 LDCM0478  CL84 HCT 116 C1018(0.50); C1053(0.76); C85(1.12)  LDD0795  [13]
 LDCM0479  CL85 HCT 116 C1018(0.80); C1053(0.76); C85(1.09)  LDD0796  [13]
 LDCM0480  CL86 HCT 116 C1018(1.18); C1053(0.89); C85(1.01)  LDD0797  [13]
 LDCM0481  CL87 HCT 116 C1018(0.75); C1053(0.88); C85(1.02)  LDD0798  [13]
 LDCM0482  CL88 HCT 116 C1018(0.69); C1053(0.88); C85(0.98)  LDD0799  [13]
 LDCM0483  CL89 HCT 116 C1018(0.42); C1053(1.15); C85(1.06)  LDD0800  [13]
 LDCM0484  CL9 HCT 116 C1018(0.98); C1053(0.79); C85(0.95)  LDD0801  [13]
 LDCM0485  CL90 HCT 116 C1018(1.06); C1053(0.84); C85(0.85)  LDD0802  [13]
 LDCM0486  CL91 HCT 116 C1053(0.84); C85(1.07)  LDD0803  [13]
 LDCM0487  CL92 HCT 116 C1053(0.97); C85(1.06)  LDD0804  [13]
 LDCM0488  CL93 HCT 116 C1053(1.03); C85(0.99)  LDD0805  [13]
 LDCM0489  CL94 HCT 116 C1053(1.07); C85(0.78)  LDD0806  [13]
 LDCM0490  CL95 HCT 116 C1053(1.00); C85(1.01)  LDD0807  [13]
 LDCM0491  CL96 HCT 116 C1053(0.88); C85(1.04)  LDD0808  [13]
 LDCM0492  CL97 HCT 116 C1053(0.96); C85(1.05)  LDD0809  [13]
 LDCM0493  CL98 HCT 116 C1053(1.00); C85(1.16)  LDD0810  [13]
 LDCM0494  CL99 HCT 116 C1053(1.16); C85(1.16)  LDD0811  [13]
 LDCM0495  E2913 HEK-293T C85(0.87)  LDD1698  [27]
 LDCM0468  Fragment33 HCT 116 C1018(0.69); C1053(1.43); C85(1.00)  LDD0785  [13]
 LDCM0427  Fragment51 HCT 116 C1018(0.96); C1053(0.63); C85(0.82)  LDD0744  [13]
 LDCM0116  HHS-0101 DM93 Y100(0.54); Y537(0.70); Y692(1.06); Y107(1.09)  LDD0264  [11]
 LDCM0117  HHS-0201 DM93 Y692(0.72); Y537(0.77); Y822(1.04); Y107(1.04)  LDD0265  [11]
 LDCM0118  HHS-0301 DM93 Y537(0.63); Y822(1.02); Y107(1.06); Y692(1.97)  LDD0266  [11]
 LDCM0119  HHS-0401 DM93 Y537(0.88); Y107(1.17); Y822(1.25); Y100(1.42)  LDD0267  [11]
 LDCM0120  HHS-0701 DM93 Y100(0.79); Y537(0.91); Y107(0.93); Y692(1.03)  LDD0268  [11]
 LDCM0107  IAA HeLa H1093(0.00); H184(0.00); C422(0.00); H527(0.00)  LDD0221  [23]
 LDCM0123  JWB131 DM93 Y107(0.51); Y822(1.14)  LDD0285  [10]
 LDCM0124  JWB142 DM93 Y107(1.21); Y822(1.19)  LDD0286  [10]
 LDCM0125  JWB146 DM93 Y107(2.43); Y822(1.00)  LDD0287  [10]
 LDCM0126  JWB150 DM93 Y107(5.71); Y537(0.95); Y822(3.21)  LDD0288  [10]
 LDCM0127  JWB152 DM93 Y107(6.59); Y537(7.25); Y822(1.29)  LDD0289  [10]
 LDCM0128  JWB198 DM93 Y107(0.18); Y822(2.18)  LDD0290  [10]
 LDCM0129  JWB202 DM93 Y107(0.79); Y822(1.09)  LDD0291  [10]
 LDCM0130  JWB211 DM93 Y107(1.09); Y822(1.20)  LDD0292  [10]
 LDCM0179  JZ128 PC-3 N.A.  LDD0462  [9]
 LDCM0022  KB02 HEK-293T C85(0.94); C1018(1.01)  LDD1492  [27]
 LDCM0023  KB03 HEK-293T C85(0.98); C1018(1.01)  LDD1497  [27]
 LDCM0024  KB05 HMCB C422(4.28)  LDD3312  [28]
 LDCM0509  N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide MDA-MB-231 C545(1.31); C1053(1.27); C737(0.92); C325(1.42)  LDD2102  [5]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C85(0.77); C1040(0.85); C545(0.64); C1053(1.01)  LDD2121  [5]
 LDCM0109  NEM HeLa H1093(0.00); H694(0.00); C1053(0.00); H184(0.00)  LDD0223  [23]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C85(0.94); C545(0.81); C1053(1.10); C313(0.69)  LDD2089  [5]
 LDCM0497  Nucleophilic fragment 11b MDA-MB-231 C545(1.69); C313(1.10); C737(0.71); C325(1.28)  LDD2090  [5]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C1040(1.54); C545(0.92); C737(1.17); C325(1.42)  LDD2092  [5]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C85(0.66); C545(1.10); C313(0.94); C737(0.95)  LDD2093  [5]
 LDCM0501  Nucleophilic fragment 13b MDA-MB-231 C1040(3.72); C545(3.20); C313(2.50); C737(3.48)  LDD2094  [5]
 LDCM0503  Nucleophilic fragment 14b MDA-MB-231 C1040(0.37); C545(0.53); C1053(0.14); C313(0.29)  LDD2096  [5]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C85(0.75); C1040(0.70); C545(0.74); C1053(0.63)  LDD2097  [5]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C85(0.96); C545(0.71); C1053(0.48); C737(0.92)  LDD2098  [5]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C85(0.81); C1040(0.88); C545(0.88); C1053(0.98)  LDD2099  [5]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C85(0.53); C545(0.34); C1053(0.25); C737(0.43)  LDD2100  [5]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C85(0.90); C545(6.99); C1053(1.05); C313(0.87)  LDD2101  [5]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C85(0.54); C1040(0.42); C545(0.30); C1053(0.56)  LDD2104  [5]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C85(1.78); C545(1.24); C313(1.70); C325(2.52)  LDD2105  [5]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C85(0.60); C545(0.32); C1053(0.47); C313(0.29)  LDD2106  [5]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C85(0.76); C1040(0.68); C545(0.60); C1053(0.63)  LDD2107  [5]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C545(0.33); C737(0.32); C325(0.20); C422(0.46)  LDD2108  [5]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C85(0.37); C1040(0.44); C545(0.40); C1053(0.46)  LDD2109  [5]
 LDCM0517  Nucleophilic fragment 21b MDA-MB-231 C85(0.64); C545(0.38); C1053(0.72); C313(0.25)  LDD2110  [5]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C1040(1.20); C545(0.78); C1053(0.89); C313(1.04)  LDD2111  [5]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C85(0.50); C545(0.33); C313(0.32); C737(0.53)  LDD2114  [5]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C85(0.33); C1053(0.40); C313(0.38); C325(0.40)  LDD2115  [5]
 LDCM0523  Nucleophilic fragment 24b MDA-MB-231 C1040(0.74); C545(0.91); C313(0.46); C737(0.47)  LDD2116  [5]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C1040(0.75); C545(0.93); C1053(0.34); C737(0.50)  LDD2118  [5]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C1040(1.94); C545(2.26); C313(1.14); C737(3.16)  LDD2119  [5]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C85(0.69); C1040(1.04); C545(1.06); C1053(0.89)  LDD2120  [5]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C1040(0.64); C545(0.69); C1053(0.16); C737(0.41)  LDD2122  [5]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C85(0.44); C545(0.56); C1053(0.80); C313(0.58)  LDD2123  [5]
 LDCM0531  Nucleophilic fragment 28b MDA-MB-231 C1040(0.55); C545(0.71); C1053(0.17); C737(0.40)  LDD2124  [5]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C85(0.97); C1040(0.61); C545(0.68); C1053(0.75)  LDD2125  [5]
 LDCM0533  Nucleophilic fragment 29b MDA-MB-231 C1040(0.49); C545(0.61); C1053(0.12); C737(0.35)  LDD2126  [5]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C85(0.85); C1040(0.82); C545(0.71); C1053(0.87)  LDD2127  [5]
 LDCM0535  Nucleophilic fragment 30b MDA-MB-231 C85(0.80); C1040(1.09); C545(1.03); C737(0.96)  LDD2128  [5]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C85(0.46); C1040(0.87); C545(0.74); C1053(0.96)  LDD2129  [5]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C85(0.37); C545(0.73); C313(0.58); C737(0.38)  LDD2133  [5]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C85(0.43); C545(0.53); C1053(0.43); C313(0.39)  LDD2134  [5]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C85(0.47); C545(0.59); C1053(1.07); C313(1.06)  LDD2135  [5]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C85(0.90); C1040(0.76); C545(0.81); C1053(0.99)  LDD2136  [5]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C85(0.81); C545(0.68); C1053(0.74); C313(0.78)  LDD2137  [5]
 LDCM0211  Nucleophilic fragment 3b MDA-MB-231 C737(3.65); C1053(2.56); C422(2.14); C85(1.81)  LDD1700  [5]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C85(0.75); C1040(0.64); C545(0.70); C1053(1.00)  LDD2140  [5]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C85(0.58); C1040(0.75); C545(0.40); C1053(0.27)  LDD2141  [5]
 LDCM0549  Nucleophilic fragment 43 MDA-MB-231 C85(0.79); C1040(1.24); C545(1.12); C1053(0.75)  LDD2143  [5]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C85(2.89); C545(3.07); C1053(2.39); C313(2.02)  LDD2144  [5]
 LDCM0551  Nucleophilic fragment 5b MDA-MB-231 C545(0.18); C313(0.20); C737(0.09); C325(0.19)  LDD2145  [5]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C85(0.52); C1040(0.59); C545(0.64); C313(1.48)  LDD2146  [5]
 LDCM0553  Nucleophilic fragment 6b MDA-MB-231 C545(3.05); C1053(2.07); C737(4.00); C325(1.52)  LDD2147  [5]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C85(0.36); C1040(0.76); C545(0.53); C1053(0.41)  LDD2148  [5]
 LDCM0555  Nucleophilic fragment 7b MDA-MB-231 C1040(0.72); C545(0.85); C1053(0.21); C737(0.40)  LDD2149  [5]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C85(0.57); C545(0.64); C1053(0.80); C313(0.44)  LDD2150  [5]
 LDCM0557  Nucleophilic fragment 8b MDA-MB-231 C1040(0.38); C545(0.63); C1053(0.32); C313(0.10)  LDD2151  [5]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C85(1.82); C545(2.44); C313(2.61); C737(1.82)  LDD2153  [5]
 LDCM0021  THZ1 HCT 116 C85(1.13)  LDD2173  [13]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Transporter and channel
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Optineurin (OPTN) . Q96CV9
Other
Click To Hide/Show 10 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Abl interactor 2 (ABI2) ABI family Q9NYB9
Actin-related protein 2/3 complex subunit 2 (ARPC2) ARPC2 family O15144
Breast cancer anti-estrogen resistance protein 1 (BCAR1) CAS family P56945
Leupaxin (LPXN) Paxillin family O60711
RNA-binding protein FUS (FUS) RRM TET family P35637
Tektin-1 (TEKT1) Tektin family Q969V4
Catenin alpha-1 (CTNNA1) Vinculin/alpha-catenin family P35221
Nebulette (NEBL) . O76041
Suppressor APC domain-containing protein 2 (SAPCD2) . Q86UD0
Vinexin (SORBS3) . O60504

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 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.
4 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
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 2H-Azirine-Based Reagents for Chemoselective Bioconjugation at Carboxyl Residues Inside Live Cells. J Am Chem Soc. 2020 Apr 1;142(13):6051-6059. doi: 10.1021/jacs.9b12116. Epub 2020 Mar 23.
7 A chemical proteomics approach for global mapping of functional lysines on cell surface of living cell. Nat Commun. 2024 Apr 8;15(1):2997. doi: 10.1038/s41467-024-47033-w.
Mass spectrometry data entry: PXD042888
8 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.
9 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.
10 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.
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 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.
13 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.
14 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
15 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.
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 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
18 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
19 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
20 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.
21 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
22 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
23 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.
24 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.
25 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.
26 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.
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 DrugMap: A quantitative pan-cancer analysis of cysteine ligandability. Cell. 2024 May 9;187(10):2536-2556.e30. doi: 10.1016/j.cell.2024.03.027. Epub 2024 Apr 22.
Mass spectrometry data entry: PXD047840