Details of the Target

General Information of Target

Target ID LDTP04531
Target Name Hexokinase-2 (HK2)
Gene Name HK2
Gene ID 3099
Synonyms
Hexokinase-2; EC 2.7.1.1; Hexokinase type II; HK II; Hexokinase-B; Muscle form hexokinase
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAA
VKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMR
GSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGV
EGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYME
EMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGM
YMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLG
LDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKH
PHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLS
HDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRV
LLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGF
TFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVG
TMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDD
FRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRG
IFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAA
VVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKG
AALITAVACRIREAGQR
Target Type
Clinical trial
Target Bioclass
Enzyme
Family
Hexokinase family
Subcellular location
Mitochondrion outer membrane
Function
Catalyzes the phosphorylation of hexose, such as D-glucose and D-fructose, to hexose 6-phosphate (D-glucose 6-phosphate and D-fructose 6-phosphate, respectively). Mediates the initial step of glycolysis by catalyzing phosphorylation of D-glucose to D-glucose 6-phosphate. Plays a key role in maintaining the integrity of the outer mitochondrial membrane by preventing the release of apoptogenic molecules from the intermembrane space and subsequent apoptosis.
TTD ID
T96685
Uniprot ID
P52789
DrugMap ID
TTK02H8
Ensemble ID
ENST00000290573.7
HGNC ID
HGNC:4923
ChEMBL ID
CHEMBL2640

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 30 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
m-APA
 Probe Info  		13.97  LDD0402  [1]
A-EBA
 Probe Info  		2.53  LDD0215  [2]
W1
 Probe Info  		11.45  LDD0235  [3]
TH211
 Probe Info  		Y865(8.89)  LDD0257  [4]
STPyne
 Probe Info  		K176(6.27); K315(4.67); K346(10.00); K419(6.97)  LDD0277  [5]
JZ128-DTB
 Probe Info  		C628(0.00); C368(0.00)  LDD0462  [6]
THZ1-DTB
 Probe Info  		C628(1.06)  LDD0460  [6]
AHL-Pu-1
 Probe Info  		C517(2.33)  LDD0168  [7]
HHS-475
 Probe Info  		Y461(0.73); Y27(1.19)  LDD0264  [8]
HHS-465
 Probe Info  		Y749(4.99)  LDD2237  [9]
DBIA
 Probe Info  		C909(1.22); C628(1.10)  LDD0078  [10]
5E-2FA
 Probe Info  		N.A.  LDD2235  [11]
ATP probe
 Probe Info  		K346(0.00); K418(0.00); K419(0.00)  LDD0199  [12]
4-Iodoacetamidophenylacetylene
 Probe Info  		C834(0.00); C813(0.00); C628(0.00); C886(0.00)  LDD0038  [13]
IA-alkyne
 Probe Info  		C368(0.00); C386(0.00); C375(0.00)  LDD0032  [14]
IPIAA_L
 Probe Info  		C368(0.00); C628(0.00); C886(0.00)  LDD0031  [15]
Lodoacetamide azide
 Probe Info  		C834(0.00); C813(0.00); C628(0.00); C886(0.00)  LDD0037  [13]
BTD
 Probe Info  		C368(0.00); C628(0.00)  LDD0004  [16]
NAIA_4
 Probe Info  		C438(0.00); C517(0.00); C606(0.00); C628(0.00)  LDD2226  [17]
Compound 10
 Probe Info  		C158(0.00); C368(0.00); C375(0.00); C438(0.00)  LDD2216  [18]
Compound 11
 Probe Info  		C368(0.00); C909(0.00)  LDD2213  [18]
IPM
 Probe Info  		C628(0.00); C794(0.00); C813(0.00); C517(0.00)  LDD0005  [16]
TFBX
 Probe Info  		C517(0.00); C386(0.00); C158(0.00); C628(0.00)  LDD0148  [19]
Phosphinate-6
 Probe Info  		C628(0.00); C794(0.00)  LDD0018  [20]
1c-yne
 Probe Info  		N.A.  LDD0228  [21]
Acrolein
 Probe Info  		C628(0.00); C834(0.00); H56(0.00); C368(0.00)  LDD0217  [22]
Crotonaldehyde
 Probe Info  		C628(0.00); C834(0.00); C438(0.00); C823(0.00)  LDD0219  [22]
Methacrolein
 Probe Info  		C368(0.00); C834(0.00); C628(0.00); C438(0.00)  LDD0218  [22]
AOyne
 Probe Info  		9.00  LDD0443  [23]
NAIA_5
 Probe Info  		C834(0.00); C628(0.00); C886(0.00); C909(0.00)  LDD2223  [17]
PAL-AfBPP Probe
Click To Hide/Show 49 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
C040
 Probe Info  		7.31  LDD1740  [24]
C055
 Probe Info  		13.09  LDD1752  [24]
C056
 Probe Info  		17.39  LDD1753  [24]
C091
 Probe Info  		18.13  LDD1782  [24]
C092
 Probe Info  		24.93  LDD1783  [24]
C094
 Probe Info  		36.76  LDD1785  [24]
C134
 Probe Info  		22.63  LDD1816  [24]
C135
 Probe Info  		11.16  LDD1817  [24]
C143
 Probe Info  		17.15  LDD1825  [24]
C169
 Probe Info  		21.71  LDD1849  [24]
C201
 Probe Info  		30.70  LDD1877  [24]
C206
 Probe Info  		17.39  LDD1881  [24]
C218
 Probe Info  		14.32  LDD1892  [24]
C220
 Probe Info  		19.43  LDD1894  [24]
C228
 Probe Info  		29.45  LDD1901  [24]
C231
 Probe Info  		13.27  LDD1904  [24]
C233
 Probe Info  		9.00  LDD1906  [24]
C238
 Probe Info  		12.47  LDD1911  [24]
C243
 Probe Info  		13.36  LDD1916  [24]
C246
 Probe Info  		18.77  LDD1919  [24]
C265
 Probe Info  		13.09  LDD1936  [24]
C277
 Probe Info  		7.62  LDD1947  [24]
C282
 Probe Info  		19.43  LDD1952  [24]
C285
 Probe Info  		23.75  LDD1955  [24]
C287
 Probe Info  		8.69  LDD1957  [24]
C288
 Probe Info  		7.26  LDD1958  [24]
C289
 Probe Info  		32.22  LDD1959  [24]
C293
 Probe Info  		18.77  LDD1963  [24]
C299
 Probe Info  		8.75  LDD1968  [24]
C310
 Probe Info  		11.00  LDD1977  [24]
C343
 Probe Info  		12.47  LDD2005  [24]
C349
 Probe Info  		11.24  LDD2010  [24]
C350
 Probe Info  		27.86  LDD2011  [24]
C390
 Probe Info  		23.43  LDD2049  [24]
C403
 Probe Info  		15.14  LDD2061  [24]
C407
 Probe Info  		13.74  LDD2064  [24]
C429
 Probe Info  		14.22  LDD2084  [24]
C430
 Probe Info  		6.41  LDD2085  [24]
C431
 Probe Info  		20.11  LDD2086  [24]
FFF probe11
 Probe Info  		20.00  LDD0471  [25]
FFF probe13
 Probe Info  		8.18  LDD0475  [25]
FFF probe14
 Probe Info  		20.00  LDD0477  [25]
FFF probe2
 Probe Info  		20.00  LDD0463  [25]
FFF probe3
 Probe Info  		10.54  LDD0464  [25]
FFF probe9
 Probe Info  		5.22  LDD0470  [25]
JN0003
 Probe Info  		20.00  LDD0469  [25]
STS-1
 Probe Info  		N.A.  LDD0136  [26]
STS-2
 Probe Info  		N.A.  LDD0138  [26]
OEA-DA
 Probe Info  		12.98  LDD0046  [27]

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 C375(0.55)  LDD2142  [28]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C375(0.62)  LDD2112  [28]
 LDCM0502  1-(Cyanoacetyl)piperidine MDA-MB-231 C628(0.66); C375(0.53)  LDD2095  [28]
 LDCM0537  2-Cyano-N,N-dimethylacetamide MDA-MB-231 C375(1.02); C368(1.11)  LDD2130  [28]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C375(1.22); C834(0.86); C823(1.21)  LDD2117  [28]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C438(0.55)  LDD2152  [28]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C628(0.65); C375(0.59); C368(0.67)  LDD2132  [28]
 LDCM0538  4-(Cyanoacetyl)morpholine MDA-MB-231 C375(0.58); C368(0.83)  LDD2131  [28]
 LDCM0025  4SU-RNA HEK-293T C517(2.33)  LDD0168  [7]
 LDCM0214  AC1 HCT 116 C517(1.19); C628(0.88); C704(1.02); C717(0.93)  LDD0531  [10]
 LDCM0215  AC10 HCT 116 C438(1.00); C517(1.05); C628(0.91); C704(0.95)  LDD0532  [10]
 LDCM0216  AC100 HCT 116 C438(0.76); C517(0.78); C628(0.97); C704(0.67)  LDD0533  [10]
 LDCM0217  AC101 HCT 116 C438(0.84); C517(0.80); C628(0.74); C704(0.66)  LDD0534  [10]
 LDCM0218  AC102 HCT 116 C438(1.11); C517(0.80); C628(0.80); C704(0.49)  LDD0535  [10]
 LDCM0219  AC103 HCT 116 C438(0.72); C517(0.76); C628(0.48); C704(0.18)  LDD0536  [10]
 LDCM0220  AC104 HCT 116 C438(1.18); C517(0.84); C628(0.54); C704(0.28)  LDD0537  [10]
 LDCM0221  AC105 HCT 116 C438(0.78); C517(0.80); C628(0.60); C704(0.25)  LDD0538  [10]
 LDCM0222  AC106 HCT 116 C438(0.87); C517(0.81); C628(0.48); C704(0.25)  LDD0539  [10]
 LDCM0223  AC107 HCT 116 C438(1.30); C517(0.79); C628(0.66); C704(0.23)  LDD0540  [10]
 LDCM0224  AC108 HCT 116 C438(0.67); C517(0.87); C628(0.55); C704(0.81)  LDD0541  [10]
 LDCM0225  AC109 HCT 116 C438(1.48); C517(0.83); C628(0.61); C704(0.65)  LDD0542  [10]
 LDCM0226  AC11 HCT 116 C438(1.07); C517(1.08); C628(1.21); C704(0.98)  LDD0543  [10]
 LDCM0227  AC110 HCT 116 C438(0.71); C517(0.80); C628(0.79); C704(0.50)  LDD0544  [10]
 LDCM0228  AC111 HCT 116 C438(0.77); C517(0.83); C628(0.69); C704(0.70)  LDD0545  [10]
 LDCM0229  AC112 HCT 116 C438(0.73); C517(0.85); C628(0.81); C704(0.42)  LDD0546  [10]
 LDCM0230  AC113 HCT 116 C438(1.17); C517(1.04); C704(0.82); C717(0.82)  LDD0547  [10]
 LDCM0231  AC114 HCT 116 C438(1.05); C517(0.91); C704(0.41); C717(0.41)  LDD0548  [10]
 LDCM0232  AC115 HCT 116 C438(1.39); C517(0.95); C704(0.18); C717(0.18)  LDD0549  [10]
 LDCM0233  AC116 HCT 116 C438(1.23); C517(1.01); C704(0.23); C717(0.23)  LDD0550  [10]
 LDCM0234  AC117 HCT 116 C438(1.21); C517(1.03); C704(0.47); C717(0.47)  LDD0551  [10]
 LDCM0235  AC118 HCT 116 C438(1.58); C517(0.97); C704(0.49); C717(0.49)  LDD0552  [10]
 LDCM0236  AC119 HCT 116 C438(1.12); C517(0.97); C704(0.61); C717(0.61)  LDD0553  [10]
 LDCM0237  AC12 HCT 116 C438(1.04); C517(1.27); C628(1.66); C704(1.18)  LDD0554  [10]
 LDCM0238  AC120 HCT 116 C438(0.97); C517(0.99); C704(0.48); C717(0.48)  LDD0555  [10]
 LDCM0239  AC121 HCT 116 C438(1.03); C517(0.94); C704(0.49); C717(0.49)  LDD0556  [10]
 LDCM0240  AC122 HCT 116 C438(1.32); C517(0.95); C704(1.04); C717(1.04)  LDD0557  [10]
 LDCM0241  AC123 HCT 116 C438(1.24); C517(0.83); C704(0.55); C717(0.55)  LDD0558  [10]
 LDCM0242  AC124 HCT 116 C438(1.15); C517(0.94); C704(0.60); C717(0.60)  LDD0559  [10]
 LDCM0243  AC125 HCT 116 C438(1.38); C517(1.00); C704(0.50); C717(0.50)  LDD0560  [10]
 LDCM0244  AC126 HCT 116 C438(1.18); C517(0.97); C704(0.28); C717(0.28)  LDD0561  [10]
 LDCM0245  AC127 HCT 116 C438(1.18); C517(0.97); C704(0.37); C717(0.37)  LDD0562  [10]
 LDCM0246  AC128 HCT 116 C438(0.62); C517(1.04); C704(0.62); C717(0.62)  LDD0563  [10]
 LDCM0247  AC129 HCT 116 C438(1.24); C517(0.99); C704(2.09); C717(2.09)  LDD0564  [10]
 LDCM0249  AC130 HCT 116 C438(0.93); C517(1.01); C704(0.70); C717(0.70)  LDD0566  [10]
 LDCM0250  AC131 HCT 116 C438(1.23); C517(0.99); C704(2.10); C717(2.10)  LDD0567  [10]
 LDCM0251  AC132 HCT 116 C438(1.08); C517(1.10); C704(1.98); C717(1.98)  LDD0568  [10]
 LDCM0252  AC133 HCT 116 C438(0.86); C517(0.97); C704(0.78); C717(0.78)  LDD0569  [10]
 LDCM0253  AC134 HCT 116 C438(0.73); C517(1.05); C704(0.63); C717(0.63)  LDD0570  [10]
 LDCM0254  AC135 HCT 116 C438(0.81); C517(1.01); C704(0.62); C717(0.62)  LDD0571  [10]
 LDCM0255  AC136 HCT 116 C438(0.92); C517(0.98); C704(0.77); C717(0.77)  LDD0572  [10]
 LDCM0256  AC137 HCT 116 C438(1.05); C517(1.00); C704(0.97); C717(0.97)  LDD0573  [10]
 LDCM0257  AC138 HCT 116 C438(0.55); C517(0.95); C704(0.69); C717(0.69)  LDD0574  [10]
 LDCM0258  AC139 HCT 116 C438(0.90); C517(1.13); C704(0.74); C717(0.74)  LDD0575  [10]
 LDCM0259  AC14 HCT 116 C438(0.84); C517(1.08); C628(1.18); C704(1.01)  LDD0576  [10]
 LDCM0260  AC140 HCT 116 C438(0.50); C517(1.14); C704(0.61); C717(0.61)  LDD0577  [10]
 LDCM0261  AC141 HCT 116 C438(0.61); C517(1.05); C704(0.71); C717(0.71)  LDD0578  [10]
 LDCM0262  AC142 HCT 116 C438(1.50); C517(1.21); C704(1.95); C717(1.95)  LDD0579  [10]
 LDCM0263  AC143 HCT 116 C386(1.62); C517(1.04); C794(1.11); C909(0.93)  LDD0580  [10]
 LDCM0264  AC144 HCT 116 C386(0.93); C909(1.00); C517(1.04); C794(1.66)  LDD0581  [10]
 LDCM0265  AC145 HCT 116 C386(0.88); C909(1.03); C794(1.09); C517(1.12)  LDD0582  [10]
 LDCM0266  AC146 HCT 116 C909(0.92); C517(1.00); C386(1.14); C794(1.38)  LDD0583  [10]
 LDCM0267  AC147 HCT 116 C517(0.90); C909(0.90); C386(1.09); C794(1.87)  LDD0584  [10]
 LDCM0268  AC148 HCT 116 C386(0.86); C909(1.03); C517(1.15); C794(3.27)  LDD0585  [10]
 LDCM0269  AC149 HCT 116 C909(0.94); C386(1.06); C517(1.12); C794(2.05)  LDD0586  [10]
 LDCM0270  AC15 HCT 116 C909(0.65); C438(0.75); C517(1.05); C794(1.14)  LDD0587  [10]
 LDCM0271  AC150 HCT 116 C909(1.09); C517(1.09); C794(1.26); C386(1.35)  LDD0588  [10]
 LDCM0272  AC151 HCT 116 C909(1.07); C794(1.12); C517(1.21); C386(1.49)  LDD0589  [10]
 LDCM0273  AC152 HCT 116 C909(0.81); C517(0.88); C386(0.95); C794(1.95)  LDD0590  [10]
 LDCM0274  AC153 HCT 116 C386(0.81); C909(0.99); C517(1.31); C794(3.56)  LDD0591  [10]
 LDCM0621  AC154 HCT 116 C386(1.03); C517(1.10); C794(1.57); C909(0.94)  LDD2158  [10]
 LDCM0622  AC155 HCT 116 C386(1.21); C517(1.00); C794(1.48); C909(0.99)  LDD2159  [10]
 LDCM0623  AC156 HCT 116 C386(1.22); C517(0.99); C794(1.12); C909(1.07)  LDD2160  [10]
 LDCM0624  AC157 HCT 116 C386(0.82); C517(0.86); C794(1.15); C909(1.42)  LDD2161  [10]
 LDCM0276  AC17 HCT 116 C886(1.07); C704(1.08); C717(1.08); C438(1.11)  LDD0593  [10]
 LDCM0277  AC18 HCT 116 C704(0.52); C717(0.52); C886(0.63); C909(0.85)  LDD0594  [10]
 LDCM0278  AC19 HCT 116 C886(0.89); C704(0.93); C717(0.93); C438(0.95)  LDD0595  [10]
 LDCM0279  AC2 HCT 116 C909(0.82); C628(0.85); C704(0.86); C717(0.95)  LDD0596  [10]
 LDCM0280  AC20 HCT 116 C886(0.96); C438(0.96); C794(1.00); C704(1.04)  LDD0597  [10]
 LDCM0281  AC21 HCT 116 C704(0.77); C717(0.77); C438(0.84); C886(0.89)  LDD0598  [10]
 LDCM0282  AC22 HCT 116 C886(0.85); C704(0.86); C717(0.86); C438(0.93)  LDD0599  [10]
 LDCM0283  AC23 HCT 116 C886(0.87); C438(0.91); C704(0.96); C717(0.96)  LDD0600  [10]
 LDCM0284  AC24 HCT 116 C886(0.94); C438(0.95); C704(1.10); C717(1.10)  LDD0601  [10]
 LDCM0285  AC25 HCT 116 C704(0.71); C717(0.71); C813(0.72); C517(0.85)  LDD0602  [10]
 LDCM0286  AC26 HCT 116 C909(0.91); C704(0.92); C717(0.92); C813(0.93)  LDD0603  [10]
 LDCM0287  AC27 HCT 116 C704(0.61); C717(0.61); C813(0.88); C909(0.98)  LDD0604  [10]
 LDCM0288  AC28 HCT 116 C704(0.67); C717(0.67); C813(0.81); C909(0.87)  LDD0605  [10]
 LDCM0289  AC29 HCT 116 C704(0.92); C717(0.92); C909(0.98); C886(1.00)  LDD0606  [10]
 LDCM0290  AC3 HCT 116 C909(0.76); C717(0.92); C704(0.95); C628(1.02)  LDD0607  [10]
 LDCM0291  AC30 HCT 116 C886(0.92); C909(1.01); C704(1.04); C717(1.04)  LDD0608  [10]
 LDCM0292  AC31 HCT 116 C909(0.82); C813(0.84); C704(1.09); C717(1.09)  LDD0609  [10]
 LDCM0293  AC32 HCT 116 C704(0.36); C717(0.36); C886(0.43); C909(0.73)  LDD0610  [10]
 LDCM0294  AC33 HCT 116 C704(0.53); C717(0.53); C886(0.58); C813(0.92)  LDD0611  [10]
 LDCM0295  AC34 HCT 116 C704(0.29); C717(0.29); C886(0.38); C909(0.86)  LDD0612  [10]
 LDCM0296  AC35 HCT 116 C517(0.76); C813(0.93); C628(0.96); C909(1.06)  LDD0613  [10]
 LDCM0297  AC36 HCT 116 C517(0.77); C813(0.85); C909(1.06); C628(1.13)  LDD0614  [10]
 LDCM0298  AC37 HCT 116 C628(0.68); C517(0.78); C813(1.04); C909(1.06)  LDD0615  [10]
 LDCM0299  AC38 HCT 116 C628(0.81); C813(0.86); C517(0.87); C909(0.92)  LDD0616  [10]
 LDCM0300  AC39 HCT 116 C628(0.69); C517(0.71); C813(0.85); C375(0.88)  LDD0617  [10]
 LDCM0301  AC4 HCT 116 C704(0.62); C717(0.69); C909(0.73); C628(0.95)  LDD0618  [10]
 LDCM0302  AC40 HCT 116 C375(0.57); C438(0.58); C628(0.60); C704(0.71)  LDD0619  [10]
 LDCM0303  AC41 HCT 116 C628(0.83); C517(0.94); C813(1.04); C909(1.07)  LDD0620  [10]
 LDCM0304  AC42 HCT 116 C628(0.68); C438(0.73); C375(0.74); C813(0.78)  LDD0621  [10]
 LDCM0305  AC43 HCT 116 C517(0.83); C813(0.84); C909(0.90); C628(1.02)  LDD0622  [10]
 LDCM0306  AC44 HCT 116 C628(0.56); C375(0.73); C438(0.85); C704(0.85)  LDD0623  [10]
 LDCM0307  AC45 HCT 116 C375(0.53); C438(0.64); C628(0.74); C704(0.76)  LDD0624  [10]
 LDCM0308  AC46 HCT 116 C517(1.12); C909(1.12); C438(1.20); C886(1.26)  LDD0625  [10]
 LDCM0309  AC47 HCT 116 C438(0.75); C886(0.79); C909(0.89); C517(0.92)  LDD0626  [10]
 LDCM0310  AC48 HCT 116 C517(1.11); C909(1.18); C628(1.44); C438(1.45)  LDD0627  [10]
 LDCM0311  AC49 HCT 116 C375(0.37); C438(0.38); C886(0.49); C704(0.67)  LDD0628  [10]
 LDCM0312  AC5 HCT 116 C704(0.50); C717(0.57); C909(0.72); C628(0.81)  LDD0629  [10]
 LDCM0313  AC50 HCT 116 C375(0.40); C438(0.49); C886(0.51); C704(0.63)  LDD0630  [10]
 LDCM0314  AC51 HCT 116 C517(0.97); C909(1.22); C628(1.40); C704(1.45)  LDD0631  [10]
 LDCM0315  AC52 HCT 116 C886(0.68); C704(0.79); C717(0.79); C375(0.79)  LDD0632  [10]
 LDCM0316  AC53 HCT 116 C375(0.47); C886(0.60); C438(0.61); C704(0.74)  LDD0633  [10]
 LDCM0317  AC54 HCT 116 C375(0.48); C886(0.51); C438(0.56); C704(0.65)  LDD0634  [10]
 LDCM0318  AC55 HCT 116 C375(0.36); C438(0.47); C886(0.49); C704(0.70)  LDD0635  [10]
 LDCM0319  AC56 HCT 116 C375(0.37); C438(0.44); C886(0.54); C909(0.80)  LDD0636  [10]
 LDCM0320  AC57 HCT 116 C704(0.39); C717(0.39); C386(0.72); C375(0.73)  LDD0637  [10]
 LDCM0321  AC58 HCT 116 C704(0.49); C717(0.49); C386(0.72); C517(0.74)  LDD0638  [10]
 LDCM0322  AC59 HCT 116 C704(0.33); C717(0.33); C375(0.53); C386(0.53)  LDD0639  [10]
 LDCM0323  AC6 HCT 116 C909(0.68); C438(0.83); C704(0.91); C717(0.91)  LDD0640  [10]
 LDCM0324  AC60 HCT 116 C704(0.71); C717(0.71); C517(0.95); C386(0.97)  LDD0641  [10]
 LDCM0325  AC61 HCT 116 C704(0.67); C717(0.67); C517(0.88); C909(1.08)  LDD0642  [10]
 LDCM0326  AC62 HCT 116 C704(0.30); C717(0.30); C375(0.41); C386(0.51)  LDD0643  [10]
 LDCM0327  AC63 HCT 116 C704(0.45); C717(0.45); C517(0.81); C386(0.88)  LDD0644  [10]
 LDCM0328  AC64 HCT 116 C704(0.41); C717(0.41); C375(0.46); C386(0.50)  LDD0645  [10]
 LDCM0329  AC65 HCT 116 C704(0.47); C717(0.47); C386(0.64); C375(0.65)  LDD0646  [10]
 LDCM0330  AC66 HCT 116 C704(0.54); C717(0.54); C517(0.75); C386(0.75)  LDD0647  [10]
 LDCM0331  AC67 HCT 116 C375(0.35); C386(0.35); C704(0.37); C717(0.37)  LDD0648  [10]
 LDCM0332  AC68 HCT 116 C438(0.44); C375(0.64); C704(0.73); C717(0.73)  LDD0649  [10]
 LDCM0333  AC69 HCT 116 C438(0.38); C375(0.51); C704(0.56); C717(0.56)  LDD0650  [10]
 LDCM0334  AC7 HCT 116 C909(0.51); C704(0.93); C717(0.93); C628(0.93)  LDD0651  [10]
 LDCM0335  AC70 HCT 116 C438(0.22); C375(0.27); C386(0.31); C704(0.46)  LDD0652  [10]
 LDCM0336  AC71 HCT 116 C438(0.61); C517(0.79); C909(0.82); C628(0.90)  LDD0653  [10]
 LDCM0337  AC72 HCT 116 C438(0.46); C375(0.53); C704(0.55); C717(0.55)  LDD0654  [10]
 LDCM0338  AC73 HCT 116 C438(0.24); C375(0.33); C386(0.40); C704(0.57)  LDD0655  [10]
 LDCM0339  AC74 HCT 116 C438(0.25); C375(0.34); C386(0.38); C704(0.61)  LDD0656  [10]
 LDCM0340  AC75 HCT 116 C438(0.26); C375(0.36); C386(0.42); C704(0.62)  LDD0657  [10]
 LDCM0341  AC76 HCT 116 C438(0.29); C375(0.37); C386(0.41); C704(0.51)  LDD0658  [10]
 LDCM0342  AC77 HCT 116 C438(0.28); C375(0.41); C704(0.42); C717(0.42)  LDD0659  [10]
 LDCM0343  AC78 HCT 116 C386(0.92); C438(0.96); C909(1.00); C628(1.09)  LDD0660  [10]
 LDCM0344  AC79 HCT 116 C438(0.49); C704(0.65); C717(0.65); C628(0.73)  LDD0661  [10]
 LDCM0345  AC8 HCT 116 C909(0.59); C438(0.82); C704(1.00); C717(1.00)  LDD0662  [10]
 LDCM0346  AC80 HCT 116 C438(0.33); C375(0.43); C386(0.57); C704(0.65)  LDD0663  [10]
 LDCM0347  AC81 HCT 116 C386(0.61); C517(0.87); C909(0.89); C438(1.07)  LDD0664  [10]
 LDCM0348  AC82 HCT 116 C438(0.29); C375(0.38); C386(0.39); C704(0.72)  LDD0665  [10]
 LDCM0349  AC83 HCT 116 C886(0.29); C704(0.42); C717(0.42); C909(0.91)  LDD0666  [10]
 LDCM0350  AC84 HCT 116 C886(0.31); C704(0.44); C717(0.44); C909(0.77)  LDD0667  [10]
 LDCM0351  AC85 HCT 116 C886(0.69); C704(0.79); C717(0.79); C909(0.89)  LDD0668  [10]
 LDCM0352  AC86 HCT 116 C886(0.78); C704(0.87); C717(0.87); C909(1.04)  LDD0669  [10]
 LDCM0353  AC87 HCT 116 C517(0.97); C886(0.98); C909(1.16); C704(1.27)  LDD0670  [10]
 LDCM0354  AC88 HCT 116 C886(0.91); C517(0.97); C704(1.16); C717(1.16)  LDD0671  [10]
 LDCM0355  AC89 HCT 116 C886(0.43); C704(0.53); C717(0.53); C628(0.95)  LDD0672  [10]
 LDCM0357  AC90 HCT 116 C909(0.99); C517(1.09); C628(1.43); C704(1.58)  LDD0674  [10]
 LDCM0358  AC91 HCT 116 C886(0.30); C704(0.38); C717(0.38); C517(0.89)  LDD0675  [10]
 LDCM0359  AC92 HCT 116 C886(0.30); C704(0.39); C717(0.39); C628(0.85)  LDD0676  [10]
 LDCM0360  AC93 HCT 116 C886(0.62); C517(0.89); C704(0.99); C717(0.99)  LDD0677  [10]
 LDCM0361  AC94 HCT 116 C517(0.92); C704(0.98); C717(0.98); C886(1.00)  LDD0678  [10]
 LDCM0362  AC95 HCT 116 C517(1.04); C886(1.12); C628(1.28); C704(1.44)  LDD0679  [10]
 LDCM0363  AC96 HCT 116 C886(0.61); C704(0.79); C717(0.79); C517(1.01)  LDD0680  [10]
 LDCM0364  AC97 HCT 116 C886(0.34); C704(0.44); C717(0.44); C909(0.90)  LDD0681  [10]
 LDCM0365  AC98 HCT 116 C704(0.23); C717(0.23); C886(0.29); C628(0.55)  LDD0682  [10]
 LDCM0366  AC99 HCT 116 C704(0.58); C717(0.58); C628(0.71); C438(0.73)  LDD0683  [10]
 LDCM0545  Acetamide MDA-MB-231 C375(0.61); C438(0.73); C368(0.63)  LDD2138  [28]
 LDCM0248  AKOS034007472 HCT 116 C438(1.34); C517(1.17); C628(1.13); C704(0.83)  LDD0565  [10]
 LDCM0356  AKOS034007680 HCT 116 C909(0.53); C794(0.96); C438(1.22); C628(1.28)  LDD0673  [10]
 LDCM0275  AKOS034007705 HCT 116 C704(0.49); C717(0.49); C909(0.55); C438(0.64)  LDD0592  [10]
 LDCM0156  Aniline NCI-H1299 N.A.  LDD0404  [1]
 LDCM0020  ARS-1620 HCC44 C909(1.22); C628(1.10)  LDD0078  [10]
 LDCM0498  BS-3668 MDA-MB-231 C375(0.76); C368(0.78)  LDD2091  [28]
 LDCM0630  CCW28-3 231MFP C517(1.72); C606(1.31)  LDD2214  [29]
 LDCM0108  Chloroacetamide HeLa C628(0.00); C909(0.00); C517(0.00); H56(0.00)  LDD0222  [22]
 LDCM0632  CL-Sc Hep-G2 C909(0.89)  LDD2227  [17]
 LDCM0367  CL1 HCT 116 C517(0.96); C909(1.01); C375(1.05); C386(1.10)  LDD0684  [10]
 LDCM0368  CL10 HCT 116 C704(0.50); C717(0.53); C886(0.56); C375(0.64)  LDD0685  [10]
 LDCM0369  CL100 HCT 116 C909(0.72); C717(0.78); C704(0.79); C628(0.82)  LDD0686  [10]
 LDCM0370  CL101 HCT 116 C909(0.49); C438(0.76); C704(0.78); C717(0.78)  LDD0687  [10]
 LDCM0371  CL102 HCT 116 C909(0.54); C517(0.88); C794(1.01); C438(1.02)  LDD0688  [10]
 LDCM0372  CL103 HCT 116 C909(0.66); C628(0.89); C794(0.99); C517(1.07)  LDD0689  [10]
 LDCM0373  CL104 HCT 116 C909(0.80); C517(1.00); C794(1.06); C438(1.16)  LDD0690  [10]
 LDCM0374  CL105 HCT 116 C886(0.78); C909(0.85); C704(0.97); C717(0.97)  LDD0691  [10]
 LDCM0375  CL106 HCT 116 C704(0.53); C717(0.53); C886(0.57); C909(0.76)  LDD0692  [10]
 LDCM0376  CL107 HCT 116 C704(0.43); C717(0.43); C886(0.65); C909(0.69)  LDD0693  [10]
 LDCM0377  CL108 HCT 116 C704(0.39); C717(0.39); C886(0.59); C909(0.68)  LDD0694  [10]
 LDCM0378  CL109 HCT 116 C886(0.80); C438(0.88); C704(1.00); C717(1.00)  LDD0695  [10]
 LDCM0379  CL11 HCT 116 C886(0.43); C704(0.49); C717(0.51); C375(0.51)  LDD0696  [10]
 LDCM0380  CL110 HCT 116 C704(0.72); C717(0.72); C886(0.77); C909(0.88)  LDD0697  [10]
 LDCM0381  CL111 HCT 116 C886(0.82); C704(0.89); C717(0.89); C438(1.02)  LDD0698  [10]
 LDCM0382  CL112 HCT 116 C909(0.72); C628(0.94); C517(0.95); C886(0.96)  LDD0699  [10]
 LDCM0383  CL113 HCT 116 C704(0.55); C717(0.55); C886(0.63); C909(0.92)  LDD0700  [10]
 LDCM0384  CL114 HCT 116 C909(0.82); C813(0.96); C628(0.98); C517(1.00)  LDD0701  [10]
 LDCM0385  CL115 HCT 116 C704(0.70); C717(0.70); C909(0.86); C813(1.04)  LDD0702  [10]
 LDCM0386  CL116 HCT 116 C704(0.59); C717(0.59); C909(0.77); C813(0.89)  LDD0703  [10]
 LDCM0387  CL117 HCT 116 C375(0.38); C438(0.52); C517(0.66); C886(0.73)  LDD0704  [10]
 LDCM0388  CL118 HCT 116 C375(0.82); C438(0.83); C813(0.85); C628(0.96)  LDD0705  [10]
 LDCM0389  CL119 HCT 116 C628(0.62); C375(0.65); C704(0.81); C717(0.81)  LDD0706  [10]
 LDCM0390  CL12 HCT 116 C375(0.48); C704(0.49); C886(0.54); C717(0.56)  LDD0707  [10]
 LDCM0391  CL120 HCT 116 C628(0.70); C517(0.92); C813(0.94); C909(0.95)  LDD0708  [10]
 LDCM0392  CL121 HCT 116 C886(0.68); C375(0.71); C909(0.72); C628(0.81)  LDD0709  [10]
 LDCM0393  CL122 HCT 116 C375(0.66); C438(0.67); C886(0.74); C704(0.96)  LDD0710  [10]
 LDCM0394  CL123 HCT 116 C375(0.45); C438(0.51); C886(0.53); C704(0.62)  LDD0711  [10]
 LDCM0395  CL124 HCT 116 C375(0.35); C438(0.45); C886(0.52); C704(0.64)  LDD0712  [10]
 LDCM0396  CL125 HCT 116 C704(0.94); C717(0.94); C517(0.95); C909(1.01)  LDD0713  [10]
 LDCM0397  CL126 HCT 116 C704(0.77); C717(0.77); C517(0.79); C386(0.87)  LDD0714  [10]
 LDCM0398  CL127 HCT 116 C704(0.65); C717(0.65); C517(0.87); C386(0.91)  LDD0715  [10]
 LDCM0399  CL128 HCT 116 C704(0.33); C717(0.33); C386(0.58); C375(0.82)  LDD0716  [10]
 LDCM0400  CL13 HCT 116 C704(0.60); C717(0.61); C375(0.65); C886(0.68)  LDD0717  [10]
 LDCM0401  CL14 HCT 116 C704(0.79); C717(0.80); C886(0.92); C517(1.01)  LDD0718  [10]
 LDCM0402  CL15 HCT 116 C375(0.62); C517(0.84); C886(0.92); C386(0.96)  LDD0719  [10]
 LDCM0403  CL16 HCT 116 C704(0.81); C717(0.81); C386(0.88); C375(1.00)  LDD0720  [10]
 LDCM0404  CL17 HCT 116 C386(0.88); C704(0.93); C717(0.93); C375(0.99)  LDD0721  [10]
 LDCM0405  CL18 HCT 116 C386(0.84); C517(1.02); C704(1.03); C717(1.03)  LDD0722  [10]
 LDCM0406  CL19 HCT 116 C704(0.72); C717(0.72); C386(0.89); C909(1.03)  LDD0723  [10]
 LDCM0407  CL2 HCT 116 C517(1.06); C386(1.10); C886(1.10); C909(1.17)  LDD0724  [10]
 LDCM0408  CL20 HCT 116 C704(0.37); C717(0.37); C375(0.44); C386(0.57)  LDD0725  [10]
 LDCM0409  CL21 HCT 116 C704(0.42); C717(0.42); C375(0.46); C386(0.58)  LDD0726  [10]
 LDCM0410  CL22 HCT 116 C375(0.40); C704(0.50); C717(0.50); C386(0.56)  LDD0727  [10]
 LDCM0411  CL23 HCT 116 C704(0.44); C717(0.44); C386(0.68); C375(0.70)  LDD0728  [10]
 LDCM0412  CL24 HCT 116 C375(0.33); C704(0.39); C717(0.39); C386(0.52)  LDD0729  [10]
 LDCM0413  CL25 HCT 116 C375(0.48); C386(0.64); C517(1.35); C628(0.97)  LDD0730  [10]
 LDCM0414  CL26 HCT 116 C375(0.94); C386(0.82); C517(1.21); C628(1.02)  LDD0731  [10]
 LDCM0415  CL27 HCT 116 C375(0.96); C386(0.81); C517(1.16); C628(1.38)  LDD0732  [10]
 LDCM0416  CL28 HCT 116 C375(0.64); C386(0.76); C517(1.08); C628(1.11)  LDD0733  [10]
 LDCM0417  CL29 HCT 116 C375(0.56); C386(0.67); C517(1.18); C628(0.95)  LDD0734  [10]
 LDCM0418  CL3 HCT 116 C375(1.13); C386(0.97); C517(0.92); C704(1.23)  LDD0735  [10]
 LDCM0419  CL30 HCT 116 C375(1.06); C386(0.85); C517(1.15); C628(1.56)  LDD0736  [10]
 LDCM0420  CL31 HCT 116 C375(0.88); C386(0.76); C517(0.97); C628(1.07)  LDD0737  [10]
 LDCM0421  CL32 HCT 116 C375(1.50); C386(0.78); C517(1.30); C628(1.15)  LDD0738  [10]
 LDCM0422  CL33 HCT 116 C375(0.76); C386(0.59); C517(0.92); C628(0.98)  LDD0739  [10]
 LDCM0423  CL34 HCT 116 C375(0.55); C386(0.46); C517(0.99); C628(0.85)  LDD0740  [10]
 LDCM0424  CL35 HCT 116 C375(0.50); C386(0.55); C517(0.92); C628(0.89)  LDD0741  [10]
 LDCM0425  CL36 HCT 116 C375(0.47); C386(0.55); C517(0.85); C628(0.88)  LDD0742  [10]
 LDCM0426  CL37 HCT 116 C375(0.54); C386(0.54); C517(0.91); C628(0.89)  LDD0743  [10]
 LDCM0428  CL39 HCT 116 C375(0.52); C386(0.44); C517(0.80); C628(1.04)  LDD0745  [10]
 LDCM0429  CL4 HCT 116 C375(1.24); C386(1.10); C517(0.91); C704(1.06)  LDD0746  [10]
 LDCM0430  CL40 HCT 116 C375(0.56); C386(0.53); C517(0.76); C628(0.86)  LDD0747  [10]
 LDCM0431  CL41 HCT 116 C375(0.63); C386(0.52); C517(0.96); C628(0.79)  LDD0748  [10]
 LDCM0432  CL42 HCT 116 C375(0.51); C386(0.41); C517(1.12); C628(0.98)  LDD0749  [10]
 LDCM0433  CL43 HCT 116 C375(0.43); C386(0.48); C517(0.95); C628(0.97)  LDD0750  [10]
 LDCM0434  CL44 HCT 116 C375(0.82); C386(0.55); C517(0.88); C628(0.91)  LDD0751  [10]
 LDCM0435  CL45 HCT 116 C375(0.51); C386(0.44); C517(0.91); C628(0.85)  LDD0752  [10]
 LDCM0436  CL46 HCT 116 C517(0.97); C628(0.97); C704(1.54); C717(1.54)  LDD0753  [10]
 LDCM0437  CL47 HCT 116 C517(1.02); C628(1.02); C704(1.35); C717(1.35)  LDD0754  [10]
 LDCM0438  CL48 HCT 116 C517(0.99); C628(1.03); C704(1.27); C717(1.27)  LDD0755  [10]
 LDCM0439  CL49 HCT 116 C517(1.02); C628(1.38); C704(0.90); C717(0.90)  LDD0756  [10]
 LDCM0440  CL5 HCT 116 C375(0.91); C386(1.11); C517(0.91); C704(0.79)  LDD0757  [10]
 LDCM0441  CL50 HCT 116 C517(0.95); C628(0.97); C704(1.22); C717(1.22)  LDD0758  [10]
 LDCM0442  CL51 HCT 116 C517(1.02); C628(1.42); C704(1.82); C717(1.82)  LDD0759  [10]
 LDCM0443  CL52 HCT 116 C517(1.03); C628(1.15); C704(1.49); C717(1.49)  LDD0760  [10]
 LDCM0444  CL53 HCT 116 C517(0.96); C628(1.07); C704(1.54); C717(1.54)  LDD0761  [10]
 LDCM0445  CL54 HCT 116 C517(0.97); C628(1.10); C704(1.39); C717(1.39)  LDD0762  [10]
 LDCM0446  CL55 HCT 116 C517(0.86); C628(0.90); C704(1.69); C717(1.69)  LDD0763  [10]
 LDCM0447  CL56 HCT 116 C517(1.04); C628(1.01); C704(0.99); C717(0.99)  LDD0764  [10]
 LDCM0448  CL57 HCT 116 C517(1.04); C628(1.26); C704(1.54); C717(1.54)  LDD0765  [10]
 LDCM0449  CL58 HCT 116 C517(0.97); C628(1.14); C704(1.90); C717(1.90)  LDD0766  [10]
 LDCM0450  CL59 HCT 116 C517(1.08); C628(0.98); C704(1.61); C717(1.61)  LDD0767  [10]
 LDCM0451  CL6 HCT 116 C375(0.89); C386(0.98); C517(0.97); C704(1.20)  LDD0768  [10]
 LDCM0452  CL60 HCT 116 C517(1.09); C628(0.82); C704(1.23); C717(1.23)  LDD0769  [10]
 LDCM0453  CL61 HCT 116 C375(1.56); C517(1.07); C628(1.00); C704(0.88)  LDD0770  [10]
 LDCM0454  CL62 HCT 116 C375(1.09); C517(1.09); C628(0.91); C704(0.79)  LDD0771  [10]
 LDCM0455  CL63 HCT 116 C375(1.25); C517(0.88); C628(0.96); C704(0.65)  LDD0772  [10]
 LDCM0456  CL64 HCT 116 C375(0.88); C517(0.91); C628(0.74); C704(0.39)  LDD0773  [10]
 LDCM0457  CL65 HCT 116 C375(1.34); C517(1.05); C628(0.92); C704(0.76)  LDD0774  [10]
 LDCM0458  CL66 HCT 116 C375(0.51); C517(1.02); C628(0.70); C704(0.23)  LDD0775  [10]
 LDCM0459  CL67 HCT 116 C375(0.95); C517(0.86); C628(0.75); C704(0.31)  LDD0776  [10]
 LDCM0460  CL68 HCT 116 C375(1.82); C517(0.92); C628(1.04); C704(0.83)  LDD0777  [10]
 LDCM0461  CL69 HCT 116 C375(1.86); C517(0.97); C628(1.07); C704(1.40)  LDD0778  [10]
 LDCM0462  CL7 HCT 116 C375(0.51); C386(0.62); C517(0.96); C704(0.50)  LDD0779  [10]
 LDCM0463  CL70 HCT 116 C375(1.34); C517(1.05); C628(1.04); C704(0.76)  LDD0780  [10]
 LDCM0464  CL71 HCT 116 C375(1.01); C517(0.89); C628(0.91); C704(0.58)  LDD0781  [10]
 LDCM0465  CL72 HCT 116 C375(1.03); C517(1.06); C628(0.93); C704(1.02)  LDD0782  [10]
 LDCM0466  CL73 HCT 116 C375(0.77); C517(0.93); C628(0.86); C704(0.61)  LDD0783  [10]
 LDCM0467  CL74 HCT 116 C375(0.98); C517(0.82); C628(0.84); C704(0.51)  LDD0784  [10]
 LDCM0469  CL76 HCT 116 C628(1.06); C704(0.91); C717(0.91); C794(1.18)  LDD0786  [10]
 LDCM0470  CL77 HCT 116 C628(0.88); C704(0.77); C717(0.77); C794(1.18)  LDD0787  [10]
 LDCM0471  CL78 HCT 116 C628(0.84); C704(0.73); C717(0.73); C794(1.19)  LDD0788  [10]
 LDCM0472  CL79 HCT 116 C628(0.66); C704(0.32); C717(0.32); C794(2.00)  LDD0789  [10]
 LDCM0473  CL8 HCT 116 C375(0.39); C386(0.64); C517(0.91); C704(0.46)  LDD0790  [10]
 LDCM0474  CL80 HCT 116 C628(0.71); C704(1.02); C717(1.02); C794(1.38)  LDD0791  [10]
 LDCM0475  CL81 HCT 116 C628(0.73); C704(0.59); C717(0.59); C794(1.44)  LDD0792  [10]
 LDCM0476  CL82 HCT 116 C628(0.63); C704(0.33); C717(0.33); C794(2.29)  LDD0793  [10]
 LDCM0477  CL83 HCT 116 C628(0.70); C704(0.34); C717(0.34); C794(2.26)  LDD0794  [10]
 LDCM0478  CL84 HCT 116 C628(0.76); C704(0.39); C717(0.39); C794(2.75)  LDD0795  [10]
 LDCM0479  CL85 HCT 116 C628(1.11); C704(0.60); C717(0.60); C794(1.44)  LDD0796  [10]
 LDCM0480  CL86 HCT 116 C628(0.92); C704(0.90); C717(0.90); C794(1.16)  LDD0797  [10]
 LDCM0481  CL87 HCT 116 C628(0.78); C704(0.53); C717(0.53); C794(1.53)  LDD0798  [10]
 LDCM0482  CL88 HCT 116 C628(0.90); C704(0.35); C717(0.35); C794(2.22)  LDD0799  [10]
 LDCM0483  CL89 HCT 116 C628(0.78); C704(0.46); C717(0.46); C794(3.26)  LDD0800  [10]
 LDCM0484  CL9 HCT 116 C375(0.78); C386(0.89); C517(1.03); C704(0.54)  LDD0801  [10]
 LDCM0485  CL90 HCT 116 C628(0.93); C704(0.86); C717(0.86); C794(0.94)  LDD0802  [10]
 LDCM0486  CL91 HCT 116 C517(1.10); C628(1.07); C704(0.90); C717(1.01)  LDD0803  [10]
 LDCM0487  CL92 HCT 116 C517(1.13); C628(0.63); C704(0.92); C717(1.10)  LDD0804  [10]
 LDCM0488  CL93 HCT 116 C517(1.00); C628(0.86); C704(0.89); C717(1.06)  LDD0805  [10]
 LDCM0489  CL94 HCT 116 C517(1.09); C628(1.12); C704(0.75); C717(0.86)  LDD0806  [10]
 LDCM0490  CL95 HCT 116 C517(1.01); C628(0.89); C704(0.72); C717(0.91)  LDD0807  [10]
 LDCM0491  CL96 HCT 116 C517(1.57); C628(1.41); C704(0.83); C717(0.92)  LDD0808  [10]
 LDCM0492  CL97 HCT 116 C517(1.13); C628(1.05); C704(0.96); C717(1.00)  LDD0809  [10]
 LDCM0493  CL98 HCT 116 C517(1.13); C628(1.26); C704(0.78); C717(0.82)  LDD0810  [10]
 LDCM0494  CL99 HCT 116 C517(1.22); C628(1.14); C704(0.73); C717(0.79)  LDD0811  [10]
 LDCM0495  E2913 HEK-293T C438(1.11); C375(1.15); C834(1.19); C886(1.09)  LDD1698  [30]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C386(2.49); C158(2.36); C794(1.83); C375(1.28)  LDD1702  [28]
 LDCM0625  F8 Ramos C823(0.78); C438(0.89); C628(0.99); C386(0.18)  LDD2187  [31]
 LDCM0572  Fragment10 Ramos C823(0.77); C438(0.84); C628(1.36); C386(0.55)  LDD2189  [31]
 LDCM0573  Fragment11 Ramos C823(0.98); C438(0.56); C628(0.21); C386(1.98)  LDD2190  [31]
 LDCM0574  Fragment12 Ramos C823(0.96); C438(0.94); C628(2.99); C386(0.49)  LDD2191  [31]
 LDCM0575  Fragment13 Ramos C823(1.02); C438(0.98); C628(0.93); C386(0.49)  LDD2192  [31]
 LDCM0576  Fragment14 Ramos C823(0.95); C438(0.86); C628(1.13); C386(0.80)  LDD2193  [31]
 LDCM0579  Fragment20 Ramos C823(0.92); C438(0.91); C628(4.59); C386(0.48)  LDD2194  [31]
 LDCM0580  Fragment21 Ramos C823(0.94); C438(0.99); C628(1.05); C386(0.76)  LDD2195  [31]
 LDCM0582  Fragment23 Ramos C823(1.72); C438(0.90); C628(1.32); C386(0.74)  LDD2196  [31]
 LDCM0578  Fragment27 Ramos C823(1.05); C438(1.16); C628(0.80); C386(0.57)  LDD2197  [31]
 LDCM0586  Fragment28 Ramos C823(0.67); C438(0.68); C628(0.83); C386(5.76)  LDD2198  [31]
 LDCM0588  Fragment30 Ramos C823(1.09); C438(1.23); C628(0.92); C386(0.41)  LDD2199  [31]
 LDCM0589  Fragment31 Ramos C823(1.17); C438(0.99); C628(0.95); C386(0.80)  LDD2200  [31]
 LDCM0590  Fragment32 Ramos C823(0.56); C438(0.67); C628(2.05); C386(0.35)  LDD2201  [31]
 LDCM0468  Fragment33 HCT 116 C375(1.27); C517(1.07); C628(0.86); C704(0.58)  LDD0785  [10]
 LDCM0596  Fragment38 Ramos C823(0.92); C438(0.98); C628(1.50); C386(0.13)  LDD2203  [31]
 LDCM0566  Fragment4 Ramos C823(0.86); C438(0.91); C628(1.40); C386(0.41)  LDD2184  [31]
 LDCM0427  Fragment51 HCT 116 C375(0.34); C386(0.48); C517(1.14); C628(0.88)  LDD0744  [10]
 LDCM0610  Fragment52 Ramos C823(1.19); C438(1.64); C628(1.04); C386(0.20)  LDD2204  [31]
 LDCM0614  Fragment56 Ramos C823(1.31); C438(1.45); C628(1.24); C386(0.25)  LDD2205  [31]
 LDCM0569  Fragment7 Ramos C823(0.82); C438(0.78); C628(1.63); C386(0.30)  LDD2186  [31]
 LDCM0571  Fragment9 Ramos C823(1.18); C438(0.94); C628(4.99); C386(0.93)  LDD2188  [31]
 LDCM0116  HHS-0101 DM93 Y461(0.73); Y27(1.19)  LDD0264  [8]
 LDCM0117  HHS-0201 DM93 Y461(0.67); Y27(0.73)  LDD0265  [8]
 LDCM0118  HHS-0301 DM93 Y461(0.28); Y27(0.78)  LDD0266  [8]
 LDCM0119  HHS-0401 DM93 Y27(0.99)  LDD0267  [8]
 LDCM0120  HHS-0701 DM93 Y461(0.29); Y27(1.19)  LDD0268  [8]
 LDCM0015  HNE MDA-MB-231 C909(0.96); C158(0.75)  LDD0346  [31]
 LDCM0107  IAA HeLa C909(0.00); H56(0.00); C823(0.00); H476(0.00)  LDD0221  [22]
 LDCM0179  JZ128 PC-3 C628(0.00); C368(0.00)  LDD0462  [6]
 LDCM0022  KB02 HCT 116 C158(1.22); C517(1.19); C704(1.17); C813(1.45)  LDD0080  [10]
 LDCM0023  KB03 HCT 116 C158(1.16); C517(1.09); C704(1.51); C813(1.35)  LDD0081  [10]
 LDCM0024  KB05 HCT 116 C158(1.43); C517(1.05); C704(0.99); C813(0.89)  LDD0082  [10]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C375(0.79); C438(0.97); C834(0.60)  LDD2121  [28]
 LDCM0109  NEM HeLa H77(0.00); H244(0.00); H56(0.00)  LDD0223  [22]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C628(1.37); C375(0.98); C438(0.77)  LDD2089  [28]
 LDCM0497  Nucleophilic fragment 11b MDA-MB-231 C628(1.24); C438(1.09)  LDD2090  [28]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C375(0.57); C438(0.97)  LDD2092  [28]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C375(1.15); C438(0.44)  LDD2093  [28]
 LDCM0503  Nucleophilic fragment 14b MDA-MB-231 C909(0.60)  LDD2096  [28]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C375(1.45); C438(0.29); C368(1.18); C823(1.06)  LDD2099  [28]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C375(0.50)  LDD2100  [28]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C375(0.87); C368(1.00)  LDD2101  [28]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C628(0.90); C375(0.66)  LDD2105  [28]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C368(0.74)  LDD2106  [28]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C628(2.22); C375(0.98); C438(0.64); C834(0.90)  LDD2107  [28]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C438(0.38); C834(0.68); C823(0.30)  LDD2109  [28]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C375(1.30)  LDD2111  [28]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C375(0.45)  LDD2114  [28]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C375(0.43); C368(0.37)  LDD2115  [28]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C909(0.87)  LDD2118  [28]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C375(1.42); C438(0.50); C823(1.67)  LDD2119  [28]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C368(0.72)  LDD2120  [28]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C834(0.91)  LDD2122  [28]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C375(1.05); C438(0.22)  LDD2123  [28]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C375(1.01); C368(1.05); C834(0.77); C823(0.82)  LDD2125  [28]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C375(1.28); C438(1.00); C834(1.00); C823(0.75)  LDD2127  [28]
 LDCM0535  Nucleophilic fragment 30b MDA-MB-231 C909(0.89)  LDD2128  [28]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C375(1.29); C438(0.39)  LDD2129  [28]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C375(0.56); C368(0.50)  LDD2133  [28]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C368(0.48)  LDD2134  [28]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C375(1.11); C438(0.34); C823(0.95)  LDD2135  [28]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C375(1.46); C834(0.97); C823(1.11)  LDD2136  [28]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C375(1.05); C834(0.82)  LDD2137  [28]
 LDCM0211  Nucleophilic fragment 3b MDA-MB-231 C375(2.92)  LDD1700  [28]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C438(0.60); C834(1.05); C823(0.62)  LDD2140  [28]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C628(0.78); C368(0.88); C813(0.84)  LDD2141  [28]
 LDCM0549  Nucleophilic fragment 43 MDA-MB-231 C909(0.93)  LDD2143  [28]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C375(2.03); C438(0.97); C368(3.30); C823(2.27)  LDD2144  [28]
 LDCM0551  Nucleophilic fragment 5b MDA-MB-231 C368(2.19)  LDD2145  [28]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C375(1.18); C438(0.62); C368(0.97); C823(0.79)  LDD2146  [28]
 LDCM0553  Nucleophilic fragment 6b MDA-MB-231 C438(1.40)  LDD2147  [28]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C375(0.52)  LDD2148  [28]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C628(1.13); C375(0.62); C368(1.06)  LDD2150  [28]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C438(1.77)  LDD2153  [28]
 LDCM0627  NUDT7-COV-1 HEK-293T C794(0.61)  LDD2206  [32]
 LDCM0628  OTUB2-COV-1 HEK-293T C517(1.12); C628(0.44); C794(0.25)  LDD2207  [32]
 LDCM0021  THZ1 HeLa S3 C628(1.06)  LDD0460  [6]
 LDCM0112  W16 Hep-G2 C517(0.88)  LDD0239  [3]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Fructose-2,6-bisphosphatase TIGAR (TIGAR) Phosphoglycerate mutase family Q9NQ88
Other
Click To Hide/Show 2 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Melanoma-associated antigen 12 (MAGEA12) . P43365
Ubiquilin-1 (UBQLN1) . Q9UMX0

The Drug(s) Related To This Target

Phase 2
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Vda-1102 . D06QBX

References

1 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.
2 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
3 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.
4 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.
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 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.
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 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.
10 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.
11 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
12 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.
13 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
14 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
15 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
16 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
17 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
18 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
19 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
20 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
21 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.
22 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.
23 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.
24 Large-scale chemoproteomics expedites ligand discovery and predicts ligand behavior in cells. Science. 2024 Apr 26;384(6694):eadk5864. doi: 10.1126/science.adk5864. Epub 2024 Apr 26.
Mass spectrometry data entry: PXD041587
25 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.
26 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.
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Mass spectrometry data entry: PXD007570
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Mass spectrometry data entry: PXD039908 , PXD029761
29 Covalent Ligand Screening Uncovers a RNF4 E3 Ligase Recruiter for Targeted Protein Degradation Applications. ACS Chem Biol. 2019 Nov 15;14(11):2430-2440. doi: 10.1021/acschembio.8b01083. Epub 2019 May 13.
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Mass spectrometry data entry: PXD044402
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Mass spectrometry data entry: PXD027578
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