General Information of Target

Target ID LDTP02567
Target Name DNA topoisomerase 1 (TOP1)
Gene Name TOP1
Gene ID 7150
Synonyms
DNA topoisomerase 1; EC 5.6.2.1; DNA topoisomerase I
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MSGDHLHNDSQIEADFRLNDSHKHKDKHKDREHRHKEHKKEKDREKSKHSNSEHKDSEKK
HKEKEKTKHKDGSSEKHKDKHKDRDKEKRKEEKVRASGDAKIKKEKENGFSSPPQIKDEP
EDDGYFVPPKEDIKPLKRPRDEDDADYKPKKIKTEDTKKEKKRKLEEEEDGKLKKPKNKD
KDKKVPEPDNKKKKPKKEEEQKWKWWEEERYPEGIKWKFLEHKGPVFAPPYEPLPENVKF
YYDGKVMKLSPKAEEVATFFAKMLDHEYTTKEIFRKNFFKDWRKEMTNEEKNIITNLSKC
DFTQMSQYFKAQTEARKQMSKEEKLKIKEENEKLLKEYGFCIMDNHKERIANFKIEPPGL
FRGRGNHPKMGMLKRRIMPEDIIINCSKDAKVPSPPPGHKWKEVRHDNKVTWLVSWTENI
QGSIKYIMLNPSSRIKGEKDWQKYETARRLKKCVDKIRNQYREDWKSKEMKVRQRAVALY
FIDKLALRAGNEKEEGETADTVGCCSLRVEHINLHPELDGQEYVVEFDFLGKDSIRYYNK
VPVEKRVFKNLQLFMENKQPEDDLFDRLNTGILNKHLQDLMEGLTAKVFRTYNASITLQQ
QLKELTAPDENIPAKILSYNRANRAVAILCNHQRAPPKTFEKSMMNLQTKIDAKKEQLAD
ARRDLKSAKADAKVMKDAKTKKVVESKKKAVQRLEEQLMKLEVQATDREENKQIALGTSK
LNYLDPRITVAWCKKWGVPIEKIYNKTQREKFAWAIDMADEDYEF
Target Type
Successful
Target Bioclass
Enzyme
Family
Type IB topoisomerase family
Subcellular location
Nucleus, nucleolus
Function
Releases the supercoiling and torsional tension of DNA introduced during the DNA replication and transcription by transiently cleaving and rejoining one strand of the DNA duplex. Introduces a single-strand break via transesterification at a target site in duplex DNA. The scissile phosphodiester is attacked by the catalytic tyrosine of the enzyme, resulting in the formation of a DNA-(3'-phosphotyrosyl)-enzyme intermediate and the expulsion of a 5'-OH DNA strand. The free DNA strand then rotates around the intact phosphodiester bond on the opposing strand, thus removing DNA supercoils. Finally, in the religation step, the DNA 5'-OH attacks the covalent intermediate to expel the active-site tyrosine and restore the DNA phosphodiester backbone. Regulates the alternative splicing of tissue factor (F3) pre-mRNA in endothelial cells. Involved in the circadian transcription of the core circadian clock component BMAL1 by altering the chromatin structure around the ROR response elements (ROREs) on the BMAL1 promoter.
TTD ID
T09826
Uniprot ID
P11387
DrugMap ID
TTGTQHC
Ensemble ID
ENST00000361337.3
HGNC ID
HGNC:11986
ChEMBL ID
CHEMBL1781

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 32 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
P8
 Probe Info 
10.00  LDD0451  [1]
TH211
 Probe Info 
Y308(14.17); Y231(10.93)  LDD0260  [2]
YN-1
 Probe Info 
100.00  LDD0444  [3]
YN-4
 Probe Info 
100.00  LDD0445  [3]
ONAyne
 Probe Info 
K545(0.79)  LDD0274  [4]
STPyne
 Probe Info 
K101(4.29); K153(9.09); K218(7.69); K23(8.23)  LDD0277  [4]
Probe 1
 Probe Info 
Y125(9.70); Y147(28.21); Y241(44.83); Y242(16.78)  LDD3495  [5]
BTD
 Probe Info 
C733(3.33); C630(2.14)  LDD1700  [6]
AHL-Pu-1
 Probe Info 
C386(20.00)  LDD0170  [7]
HHS-475
 Probe Info 
Y147(0.42)  LDD0264  [8]
DBIA
 Probe Info 
C630(0.93)  LDD0078  [9]
5E-2FA
 Probe Info 
N.A.  LDD2235  [10]
ATP probe
 Probe Info 
K388(0.00); K391(0.00)  LDD0199  [11]
4-Iodoacetamidophenylacetylene
 Probe Info 
C630(0.00); C300(0.00); C341(0.00); C386(0.00)  LDD0038  [12]
IA-alkyne
 Probe Info 
C504(0.00); C733(0.00); C630(0.00); C386(0.00)  LDD0032  [13]
IPIAA_L
 Probe Info 
C341(0.00); C630(0.00)  LDD0031  [14]
Lodoacetamide azide
 Probe Info 
C504(0.00); C505(0.00); C630(0.00); C300(0.00)  LDD0037  [12]
JW-RF-010
 Probe Info 
N.A.  LDD0026  [15]
Compound 10
 Probe Info 
C300(0.00); C630(0.00); C733(0.00)  LDD2216  [16]
Compound 11
 Probe Info 
C300(0.00); C630(0.00)  LDD2213  [16]
IPM
 Probe Info 
N.A.  LDD0005  [17]
NHS
 Probe Info 
K48(0.00); K252(0.00); K742(0.00)  LDD0010  [17]
OSF
 Probe Info 
N.A.  LDD0029  [18]
TFBX
 Probe Info 
C630(0.00); C504(0.00); C300(0.00)  LDD0148  [15]
Ox-W18
 Probe Info 
N.A.  LDD2175  [19]
1c-yne
 Probe Info 
K239(0.00); K354(0.00)  LDD0228  [20]
Acrolein
 Probe Info 
H576(0.00); C386(0.00); C341(0.00); C733(0.00)  LDD0217  [21]
Cinnamaldehyde
 Probe Info 
N.A.  LDD0220  [21]
Crotonaldehyde
 Probe Info 
C341(0.00); C733(0.00)  LDD0219  [21]
Methacrolein
 Probe Info 
C341(0.00); C386(0.00); C504(0.00)  LDD0218  [21]
W1
 Probe Info 
C733(0.00); C386(0.00); C341(0.00); C630(0.00)  LDD0236  [22]
NAIA_5
 Probe Info 
C630(0.00); C300(0.00); C341(0.00); C386(0.00)  LDD2223  [23]
PAL-AfBPP Probe
Click To Hide/Show 4 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
STS-1
 Probe Info 
N.A.  LDD0136  [24]
STS-2
 Probe Info 
N.A.  LDD0138  [24]
Photocelecoxib
 Probe Info 
N.A.  LDD0019  [25]
DA-2
 Probe Info 
N.A.  LDD0073  [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 C505(1.37); C341(0.27); C504(0.72)  LDD2142  [6]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C386(0.85)  LDD2112  [6]
 LDCM0502  1-(Cyanoacetyl)piperidine MDA-MB-231 C630(0.74)  LDD2095  [6]
 LDCM0537  2-Cyano-N,N-dimethylacetamide MDA-MB-231 C630(0.86)  LDD2130  [6]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C630(0.87); C505(1.23); C341(1.22); C733(1.01)  LDD2117  [6]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C630(1.76); C341(2.36); C504(2.10)  LDD2152  [6]
 LDCM0510  3-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-3-oxopropanenitrile MDA-MB-231 C630(0.92)  LDD2103  [6]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C630(0.65); C733(0.86)  LDD2132  [6]
 LDCM0538  4-(Cyanoacetyl)morpholine MDA-MB-231 C630(0.83)  LDD2131  [6]
 LDCM0025  4SU-RNA DM93 C386(20.00)  LDD0170  [7]
 LDCM0026  4SU-RNA+native RNA DM93 C386(7.76)  LDD0171  [7]
 LDCM0214  AC1 HCT 116 C341(1.43); C386(1.53); C504(1.55); C505(1.23)  LDD0531  [9]
 LDCM0215  AC10 HCT 116 C341(0.85); C386(0.99); C504(0.84); C505(1.18)  LDD0532  [9]
 LDCM0216  AC100 HCT 116 C341(0.37); C386(0.35); C504(0.64); C505(0.53)  LDD0533  [9]
 LDCM0217  AC101 HCT 116 C341(0.30); C386(0.34); C504(0.69); C505(0.52)  LDD0534  [9]
 LDCM0218  AC102 HCT 116 C341(0.36); C386(0.40); C504(0.54); C505(0.60)  LDD0535  [9]
 LDCM0219  AC103 HCT 116 C341(0.20); C386(0.23); C504(0.42); C505(0.49)  LDD0536  [9]
 LDCM0220  AC104 HCT 116 C341(0.25); C386(0.37); C504(0.54); C505(0.63)  LDD0537  [9]
 LDCM0221  AC105 HCT 116 C341(0.22); C386(0.27); C504(0.45); C505(0.50)  LDD0538  [9]
 LDCM0222  AC106 HCT 116 C341(0.21); C386(0.26); C504(0.42); C505(0.47)  LDD0539  [9]
 LDCM0223  AC107 HCT 116 C341(0.18); C386(0.27); C504(0.48); C505(0.50)  LDD0540  [9]
 LDCM0224  AC108 HCT 116 C341(0.38); C386(0.40); C504(0.55); C505(0.67)  LDD0541  [9]
 LDCM0225  AC109 HCT 116 C341(0.35); C386(0.47); C504(0.63); C505(0.72)  LDD0542  [9]
 LDCM0226  AC11 HCT 116 C341(0.87); C386(1.32); C504(0.94); C505(1.36)  LDD0543  [9]
 LDCM0227  AC110 HCT 116 C341(0.48); C386(0.35); C504(0.54); C505(0.60)  LDD0544  [9]
 LDCM0228  AC111 HCT 116 C341(0.32); C386(0.38); C504(0.59); C505(0.62)  LDD0545  [9]
 LDCM0229  AC112 HCT 116 C341(0.25); C386(0.29); C504(0.42); C505(0.48)  LDD0546  [9]
 LDCM0230  AC113 HCT 116 C341(1.62); C386(1.14); C504(1.33); C505(1.20)  LDD0547  [9]
 LDCM0231  AC114 HCT 116 C341(1.39); C386(0.70); C504(1.07); C505(1.04)  LDD0548  [9]
 LDCM0232  AC115 HCT 116 C341(1.05); C386(0.65); C504(1.04); C505(0.96)  LDD0549  [9]
 LDCM0233  AC116 HCT 116 C341(1.19); C386(0.60); C504(1.26); C505(1.23)  LDD0550  [9]
 LDCM0234  AC117 HCT 116 C341(1.24); C386(0.76); C504(1.16); C505(1.53)  LDD0551  [9]
 LDCM0235  AC118 HCT 116 C341(1.42); C386(0.73); C504(1.28); C505(1.48)  LDD0552  [9]
 LDCM0236  AC119 HCT 116 C341(1.39); C386(0.72); C504(1.10); C505(1.25)  LDD0553  [9]
 LDCM0237  AC12 HCT 116 C341(0.95); C386(1.27); C504(1.16); C505(1.47)  LDD0554  [9]
 LDCM0238  AC120 HCT 116 C341(1.68); C386(0.73); C504(1.02); C505(1.02)  LDD0555  [9]
 LDCM0239  AC121 HCT 116 C341(1.78); C386(0.85); C504(1.47); C505(2.09)  LDD0556  [9]
 LDCM0240  AC122 HCT 116 C341(1.16); C386(0.96); C504(0.99); C505(1.06)  LDD0557  [9]
 LDCM0241  AC123 HCT 116 C341(1.93); C386(0.95); C504(1.57); C505(1.58)  LDD0558  [9]
 LDCM0242  AC124 HCT 116 C341(1.74); C386(0.85); C504(1.41); C505(1.74)  LDD0559  [9]
 LDCM0243  AC125 HCT 116 C341(1.52); C386(0.81); C504(1.16); C505(1.15)  LDD0560  [9]
 LDCM0244  AC126 HCT 116 C341(1.16); C386(0.63); C504(1.34); C505(1.31)  LDD0561  [9]
 LDCM0245  AC127 HCT 116 C341(1.75); C386(0.66); C504(1.41); C505(1.61)  LDD0562  [9]
 LDCM0246  AC128 HCT 116 C341(0.74); C386(1.11); C504(2.55); C505(1.85)  LDD0563  [9]
 LDCM0247  AC129 HCT 116 C341(0.84); C386(1.34); C504(1.86); C505(1.68)  LDD0564  [9]
 LDCM0249  AC130 HCT 116 C341(0.94); C386(1.07); C504(1.80); C505(1.25)  LDD0566  [9]
 LDCM0250  AC131 HCT 116 C341(0.89); C386(1.31); C504(1.72); C505(1.63)  LDD0567  [9]
 LDCM0251  AC132 HCT 116 C341(1.10); C386(1.05); C504(1.47); C505(1.39)  LDD0568  [9]
 LDCM0252  AC133 HCT 116 C341(0.95); C386(1.18); C504(1.95); C505(1.30)  LDD0569  [9]
 LDCM0253  AC134 HCT 116 C341(0.78); C386(0.79); C504(1.14); C505(0.99)  LDD0570  [9]
 LDCM0254  AC135 HCT 116 C341(0.78); C386(0.91); C504(1.97); C505(1.35)  LDD0571  [9]
 LDCM0255  AC136 HCT 116 C341(1.08); C386(0.99); C504(1.41); C505(1.13)  LDD0572  [9]
 LDCM0256  AC137 HCT 116 C341(1.02); C386(1.36); C504(1.13); C505(0.99)  LDD0573  [9]
 LDCM0257  AC138 HCT 116 C341(0.90); C386(0.81); C504(0.69); C505(0.92)  LDD0574  [9]
 LDCM0258  AC139 HCT 116 C341(0.99); C386(0.84); C504(0.98); C505(1.01)  LDD0575  [9]
 LDCM0259  AC14 HCT 116 C341(1.01); C386(1.21); C504(1.01); C505(1.40)  LDD0576  [9]
 LDCM0260  AC140 HCT 116 C341(0.91); C386(0.71); C504(0.89); C505(0.88)  LDD0577  [9]
 LDCM0261  AC141 HCT 116 C341(1.00); C386(0.76); C504(0.66); C505(0.89)  LDD0578  [9]
 LDCM0262  AC142 HCT 116 C341(1.12); C386(1.91); C504(1.39); C505(1.82)  LDD0579  [9]
 LDCM0263  AC143 HCT 116 C733(0.62); C505(0.74); C504(0.77); C386(0.84)  LDD0580  [9]
 LDCM0264  AC144 HCT 116 C386(0.33); C341(0.54); C630(0.66); C504(0.85)  LDD0581  [9]
 LDCM0265  AC145 HCT 116 C386(0.57); C341(0.72); C733(0.82); C630(0.84)  LDD0582  [9]
 LDCM0266  AC146 HCT 116 C386(0.54); C733(0.62); C341(0.71); C630(0.79)  LDD0583  [9]
 LDCM0267  AC147 HCT 116 C386(0.33); C341(0.50); C630(0.65); C504(0.75)  LDD0584  [9]
 LDCM0268  AC148 HCT 116 C386(0.25); C341(0.41); C733(0.55); C630(0.69)  LDD0585  [9]
 LDCM0269  AC149 HCT 116 C386(0.34); C341(0.50); C733(0.57); C630(0.73)  LDD0586  [9]
 LDCM0270  AC15 HCT 116 C733(0.49); C341(0.86); C386(0.97); C504(0.97)  LDD0587  [9]
 LDCM0271  AC150 HCT 116 C386(0.60); C733(0.76); C341(0.77); C505(0.88)  LDD0588  [9]
 LDCM0272  AC151 HCT 116 C386(0.62); C341(0.74); C733(0.83); C630(0.92)  LDD0589  [9]
 LDCM0273  AC152 HCT 116 C386(0.28); C341(0.45); C630(0.68); C733(0.69)  LDD0590  [9]
 LDCM0274  AC153 HCT 116 C386(0.27); C341(0.42); C733(0.52); C505(0.68)  LDD0591  [9]
 LDCM0621  AC154 HCT 116 C341(0.54); C386(0.40); C504(0.94); C505(0.98)  LDD2158  [9]
 LDCM0622  AC155 HCT 116 C341(0.55); C386(0.41); C504(0.74); C505(0.92)  LDD2159  [9]
 LDCM0623  AC156 HCT 116 C341(0.79); C386(0.77); C504(1.07); C505(0.92)  LDD2160  [9]
 LDCM0624  AC157 HCT 116 C341(0.84); C386(0.75); C504(1.02); C505(0.96)  LDD2161  [9]
 LDCM0276  AC17 HCT 116 C386(0.84); C630(0.88); C505(0.92); C504(0.96)  LDD0593  [9]
 LDCM0277  AC18 HCT 116 C504(0.65); C505(0.67); C341(0.83); C386(0.88)  LDD0594  [9]
 LDCM0278  AC19 HCT 116 C505(0.64); C386(0.75); C504(0.75); C341(0.75)  LDD0595  [9]
 LDCM0279  AC2 HCT 116 C630(0.88); C341(0.96); C386(0.97); C505(1.16)  LDD0596  [9]
 LDCM0280  AC20 HCT 116 C505(0.69); C386(0.70); C341(0.73); C504(0.78)  LDD0597  [9]
 LDCM0281  AC21 HCT 116 C505(0.73); C504(0.86); C341(0.92); C386(1.03)  LDD0598  [9]
 LDCM0282  AC22 HCT 116 C505(0.78); C504(0.90); C341(0.91); C630(1.03)  LDD0599  [9]
 LDCM0283  AC23 HCT 116 C341(0.79); C505(0.81); C386(0.91); C504(0.93)  LDD0600  [9]
 LDCM0284  AC24 HCT 116 C341(0.73); C386(0.87); C505(0.90); C630(0.91)  LDD0601  [9]
 LDCM0285  AC25 HCT 116 C386(0.75); C505(0.82); C504(0.94); C630(1.08)  LDD0602  [9]
 LDCM0286  AC26 HCT 116 C505(0.59); C504(0.59); C386(0.77); C630(0.98)  LDD0603  [9]
 LDCM0287  AC27 HCT 116 C504(0.50); C505(0.53); C386(0.68); C630(0.91)  LDD0604  [9]
 LDCM0288  AC28 HCT 116 C504(0.48); C505(0.51); C386(0.66); C630(0.91)  LDD0605  [9]
 LDCM0289  AC29 HCT 116 C505(0.47); C504(0.48); C386(0.82); C630(0.93)  LDD0606  [9]
 LDCM0290  AC3 HCT 116 C630(0.87); C505(1.20); C386(1.22); C341(1.25)  LDD0607  [9]
 LDCM0291  AC30 HCT 116 C504(0.39); C505(0.42); C386(0.71); C630(0.93)  LDD0608  [9]
 LDCM0292  AC31 HCT 116 C505(0.49); C504(0.61); C386(0.83); C630(1.02)  LDD0609  [9]
 LDCM0293  AC32 HCT 116 C505(0.32); C504(0.32); C386(0.69); C630(0.81)  LDD0610  [9]
 LDCM0294  AC33 HCT 116 C504(0.55); C505(0.56); C386(0.63); C630(0.88)  LDD0611  [9]
 LDCM0295  AC34 HCT 116 C505(0.44); C504(0.47); C386(0.54); C630(0.79)  LDD0612  [9]
 LDCM0296  AC35 HCT 116 C630(1.04); C504(1.12); C505(1.14); C733(1.30)  LDD0613  [9]
 LDCM0297  AC36 HCT 116 C733(0.99); C630(1.01); C386(1.32); C341(1.35)  LDD0614  [9]
 LDCM0298  AC37 HCT 116 C733(1.05); C630(1.16); C505(1.19); C341(1.22)  LDD0615  [9]
 LDCM0299  AC38 HCT 116 C630(0.99); C341(1.09); C733(1.15); C386(1.22)  LDD0616  [9]
 LDCM0300  AC39 HCT 116 C630(1.03); C386(1.06); C504(1.13); C341(1.16)  LDD0617  [9]
 LDCM0301  AC4 HCT 116 C630(0.84); C505(1.07); C341(1.28); C386(1.29)  LDD0618  [9]
 LDCM0302  AC40 HCT 116 C386(0.67); C504(0.72); C341(0.72); C505(0.83)  LDD0619  [9]
 LDCM0303  AC41 HCT 116 C733(0.63); C505(1.03); C504(1.04); C630(1.19)  LDD0620  [9]
 LDCM0304  AC42 HCT 116 C733(0.81); C504(0.89); C386(0.95); C505(0.96)  LDD0621  [9]
 LDCM0305  AC43 HCT 116 C733(0.90); C630(1.07); C386(1.21); C341(1.25)  LDD0622  [9]
 LDCM0306  AC44 HCT 116 C733(0.76); C341(0.82); C386(0.91); C505(1.12)  LDD0623  [9]
 LDCM0307  AC45 HCT 116 C341(0.69); C386(0.71); C733(0.74); C505(0.85)  LDD0624  [9]
 LDCM0308  AC46 HCT 116 C630(0.98); C341(1.02); C504(1.14); C505(1.15)  LDD0625  [9]
 LDCM0309  AC47 HCT 116 C630(0.94); C504(0.96); C386(1.01); C505(1.04)  LDD0626  [9]
 LDCM0310  AC48 HCT 116 C505(1.00); C504(1.01); C630(1.18); C341(1.38)  LDD0627  [9]
 LDCM0311  AC49 HCT 116 C386(0.51); C630(0.81); C504(0.83); C505(1.21)  LDD0628  [9]
 LDCM0312  AC5 HCT 116 C630(0.86); C386(1.14); C341(1.21); C505(1.27)  LDD0629  [9]
 LDCM0313  AC50 HCT 116 C386(0.49); C504(0.70); C630(0.79); C505(1.04)  LDD0630  [9]
 LDCM0314  AC51 HCT 116 C504(0.95); C505(1.00); C341(1.04); C630(1.23)  LDD0631  [9]
 LDCM0315  AC52 HCT 116 C504(0.88); C630(0.98); C505(1.04); C386(1.05)  LDD0632  [9]
 LDCM0316  AC53 HCT 116 C386(0.75); C504(0.78); C630(0.86); C341(1.08)  LDD0633  [9]
 LDCM0317  AC54 HCT 116 C386(0.61); C504(0.72); C630(0.92); C505(1.05)  LDD0634  [9]
 LDCM0318  AC55 HCT 116 C504(0.75); C386(0.75); C630(0.87); C505(0.97)  LDD0635  [9]
 LDCM0319  AC56 HCT 116 C386(0.59); C504(0.87); C341(0.93); C630(1.03)  LDD0636  [9]
 LDCM0320  AC57 HCT 116 C386(0.44); C630(0.86); C733(1.02); C504(1.32)  LDD0637  [9]
 LDCM0321  AC58 HCT 116 C386(0.41); C630(0.79); C733(1.07); C504(2.49)  LDD0638  [9]
 LDCM0322  AC59 HCT 116 C386(0.32); C733(0.67); C630(0.90); C504(0.96)  LDD0639  [9]
 LDCM0323  AC6 HCT 116 C733(0.50); C386(0.66); C341(0.77); C504(0.78)  LDD0640  [9]
 LDCM0324  AC60 HCT 116 C733(0.55); C386(0.58); C630(0.96); C504(1.46)  LDD0641  [9]
 LDCM0325  AC61 HCT 116 C386(0.93); C733(0.97); C630(1.00); C504(2.54)  LDD0642  [9]
 LDCM0326  AC62 HCT 116 C386(0.29); C504(0.62); C733(0.73); C505(0.77)  LDD0643  [9]
 LDCM0327  AC63 HCT 116 C386(0.50); C733(0.56); C630(0.91); C504(1.11)  LDD0644  [9]
 LDCM0328  AC64 HCT 116 C386(0.35); C733(0.64); C504(1.02); C630(1.04)  LDD0645  [9]
 LDCM0329  AC65 HCT 116 C386(0.42); C733(0.80); C630(0.99); C504(1.20)  LDD0646  [9]
 LDCM0330  AC66 HCT 116 C386(0.50); C630(0.96); C733(1.12); C504(1.38)  LDD0647  [9]
 LDCM0331  AC67 HCT 116 C386(0.27); C733(0.58); C630(0.98); C504(1.09)  LDD0648  [9]
 LDCM0332  AC68 HCT 116 C341(0.84); C386(0.90); C630(1.14); C505(1.17)  LDD0649  [9]
 LDCM0333  AC69 HCT 116 C341(0.80); C386(0.86); C630(0.90); C505(1.37)  LDD0650  [9]
 LDCM0334  AC7 HCT 116 C733(0.64); C504(0.83); C386(0.93); C630(0.96)  LDD0651  [9]
 LDCM0335  AC70 HCT 116 C386(0.55); C505(0.83); C504(0.84); C341(0.88)  LDD0652  [9]
 LDCM0336  AC71 HCT 116 C630(0.86); C386(1.09); C341(1.24); C505(1.30)  LDD0653  [9]
 LDCM0337  AC72 HCT 116 C386(0.76); C630(0.94); C505(1.07); C504(1.09)  LDD0654  [9]
 LDCM0338  AC73 HCT 116 C386(0.61); C505(0.84); C504(0.85); C630(0.92)  LDD0655  [9]
 LDCM0339  AC74 HCT 116 C386(0.66); C630(0.98); C341(1.17); C505(1.19)  LDD0656  [9]
 LDCM0340  AC75 HCT 116 C386(0.67); C341(0.68); C505(0.91); C504(0.95)  LDD0657  [9]
 LDCM0341  AC76 HCT 116 C386(0.63); C341(0.83); C630(0.98); C504(0.99)  LDD0658  [9]
 LDCM0342  AC77 HCT 116 C341(0.61); C386(0.63); C505(0.91); C504(0.96)  LDD0659  [9]
 LDCM0343  AC78 HCT 116 C341(0.97); C505(1.08); C504(1.09); C630(1.09)  LDD0660  [9]
 LDCM0344  AC79 HCT 116 C341(0.75); C505(0.91); C504(0.92); C386(0.94)  LDD0661  [9]
 LDCM0345  AC8 HCT 116 C733(0.55); C504(0.69); C386(0.81); C341(0.90)  LDD0662  [9]
 LDCM0346  AC80 HCT 116 C386(0.71); C341(1.01); C630(1.05); C505(1.07)  LDD0663  [9]
 LDCM0347  AC81 HCT 116 C630(0.94); C505(1.03); C504(1.05); C341(1.18)  LDD0664  [9]
 LDCM0348  AC82 HCT 116 C386(0.74); C341(0.90); C505(0.99); C504(1.01)  LDD0665  [9]
 LDCM0349  AC83 HCT 116 C386(0.34); C505(0.51); C504(0.53); C341(0.71)  LDD0666  [9]
 LDCM0350  AC84 HCT 116 C386(0.38); C505(0.48); C504(0.51); C341(0.60)  LDD0667  [9]
 LDCM0351  AC85 HCT 116 C504(0.56); C505(0.61); C386(0.64); C341(0.78)  LDD0668  [9]
 LDCM0352  AC86 HCT 116 C341(0.48); C386(0.50); C505(0.65); C504(0.65)  LDD0669  [9]
 LDCM0353  AC87 HCT 116 C341(0.61); C504(0.83); C386(0.85); C505(0.87)  LDD0670  [9]
 LDCM0354  AC88 HCT 116 C386(0.50); C341(0.51); C504(0.59); C505(0.63)  LDD0671  [9]
 LDCM0355  AC89 HCT 116 C386(0.39); C341(0.50); C505(0.51); C504(0.53)  LDD0672  [9]
 LDCM0357  AC90 HCT 116 C341(0.53); C386(0.82); C505(0.86); C504(0.90)  LDD0674  [9]
 LDCM0358  AC91 HCT 116 C386(0.29); C341(0.57); C505(0.60); C504(0.60)  LDD0675  [9]
 LDCM0359  AC92 HCT 116 C386(0.30); C505(0.44); C341(0.50); C504(0.51)  LDD0676  [9]
 LDCM0360  AC93 HCT 116 C386(0.50); C505(0.54); C341(0.55); C504(0.57)  LDD0677  [9]
 LDCM0361  AC94 HCT 116 C386(0.60); C505(0.75); C504(0.76); C341(0.79)  LDD0678  [9]
 LDCM0362  AC95 HCT 116 C341(0.63); C504(0.94); C505(1.02); C630(1.08)  LDD0679  [9]
 LDCM0363  AC96 HCT 116 C386(0.49); C341(0.71); C505(0.82); C504(0.83)  LDD0680  [9]
 LDCM0364  AC97 HCT 116 C386(0.37); C341(0.37); C504(0.45); C505(0.46)  LDD0681  [9]
 LDCM0365  AC98 HCT 116 C341(0.19); C386(0.21); C504(0.45); C505(0.46)  LDD0682  [9]
 LDCM0366  AC99 HCT 116 C341(0.38); C386(0.42); C504(0.60); C505(0.63)  LDD0683  [9]
 LDCM0545  Acetamide MDA-MB-231 C341(0.71); C453(0.56)  LDD2138  [6]
 LDCM0520  AKOS000195272 MDA-MB-231 C630(1.06); C341(1.07)  LDD2113  [6]
 LDCM0248  AKOS034007472 HCT 116 C341(0.89); C386(1.21); C504(0.91); C505(1.25)  LDD0565  [9]
 LDCM0356  AKOS034007680 HCT 116 C733(0.69); C341(0.88); C504(0.98); C630(1.04)  LDD0673  [9]
 LDCM0275  AKOS034007705 HCT 116 C733(0.23); C386(0.48); C341(0.62); C504(0.62)  LDD0592  [9]
 LDCM0020  ARS-1620 HCC44 C630(0.93)  LDD0078  [9]
 LDCM0498  BS-3668 MDA-MB-231 C630(0.45); C341(0.93); C733(1.02)  LDD2091  [6]
 LDCM0630  CCW28-3 231MFP C630(1.53)  LDD2214  [27]
 LDCM0108  Chloroacetamide HeLa C386(0.00); C630(0.00); H576(0.00); C733(0.00)  LDD0222  [21]
 LDCM0632  CL-Sc Hep-G2 C630(0.45)  LDD2227  [23]
 LDCM0367  CL1 HCT 116 C733(0.76); C630(0.97); C341(0.97); C386(1.05)  LDD0684  [9]
 LDCM0368  CL10 HCT 116 C505(0.77); C504(0.80); C386(0.83); C733(0.87)  LDD0685  [9]
 LDCM0369  CL100 HCT 116 C630(0.95); C341(1.01); C386(1.02); C505(1.03)  LDD0686  [9]
 LDCM0370  CL101 HCT 116 C733(0.48); C341(0.79); C504(0.86); C386(0.87)  LDD0687  [9]
 LDCM0371  CL102 HCT 116 C733(0.69); C504(0.94); C341(0.97); C630(1.04)  LDD0688  [9]
 LDCM0372  CL103 HCT 116 C733(0.60); C341(0.84); C504(0.91); C630(0.94)  LDD0689  [9]
 LDCM0373  CL104 HCT 116 C733(0.68); C341(0.89); C630(0.98); C504(0.99)  LDD0690  [9]
 LDCM0374  CL105 HCT 116 C504(0.67); C505(0.90); C630(0.98); C386(1.02)  LDD0691  [9]
 LDCM0375  CL106 HCT 116 C504(0.54); C505(0.69); C630(0.95); C386(1.11)  LDD0692  [9]
 LDCM0376  CL107 HCT 116 C504(0.53); C505(0.71); C386(0.85); C630(0.99)  LDD0693  [9]
 LDCM0377  CL108 HCT 116 C504(0.55); C505(0.67); C386(0.69); C630(0.86)  LDD0694  [9]
 LDCM0378  CL109 HCT 116 C504(0.60); C505(0.70); C341(0.79); C386(0.80)  LDD0695  [9]
 LDCM0379  CL11 HCT 116 C386(0.61); C505(0.75); C504(0.75); C733(0.79)  LDD0696  [9]
 LDCM0380  CL110 HCT 116 C386(0.56); C505(0.64); C504(0.65); C341(0.69)  LDD0697  [9]
 LDCM0381  CL111 HCT 116 C504(0.68); C386(0.70); C505(0.72); C341(0.73)  LDD0698  [9]
 LDCM0382  CL112 HCT 116 C504(0.63); C505(0.67); C386(0.87); C630(0.93)  LDD0699  [9]
 LDCM0383  CL113 HCT 116 C505(0.35); C504(0.37); C386(0.72); C630(0.87)  LDD0700  [9]
 LDCM0384  CL114 HCT 116 C505(0.45); C504(0.49); C386(0.89); C733(0.96)  LDD0701  [9]
 LDCM0385  CL115 HCT 116 C504(0.45); C505(0.48); C386(0.89); C630(0.89)  LDD0702  [9]
 LDCM0386  CL116 HCT 116 C505(0.61); C504(0.64); C386(0.71); C630(0.94)  LDD0703  [9]
 LDCM0387  CL117 HCT 116 C386(0.63); C504(0.81); C341(0.83); C505(0.86)  LDD0704  [9]
 LDCM0388  CL118 HCT 116 C386(1.00); C733(1.03); C341(1.03); C505(1.04)  LDD0705  [9]
 LDCM0389  CL119 HCT 116 C386(0.79); C504(0.84); C341(0.87); C505(0.93)  LDD0706  [9]
 LDCM0390  CL12 HCT 116 C386(0.60); C505(0.71); C504(0.75); C733(0.92)  LDD0707  [9]
 LDCM0391  CL120 HCT 116 C733(1.00); C630(1.04); C386(1.10); C504(1.12)  LDD0708  [9]
 LDCM0392  CL121 HCT 116 C504(0.61); C386(0.81); C630(0.87); C505(1.08)  LDD0709  [9]
 LDCM0393  CL122 HCT 116 C504(0.96); C341(1.01); C505(1.01); C630(1.04)  LDD0710  [9]
 LDCM0394  CL123 HCT 116 C386(0.65); C504(0.70); C630(0.83); C505(0.95)  LDD0711  [9]
 LDCM0395  CL124 HCT 116 C386(0.56); C504(0.78); C630(0.84); C505(0.93)  LDD0712  [9]
 LDCM0396  CL125 HCT 116 C630(0.81); C386(0.83); C733(0.83); C504(1.46)  LDD0713  [9]
 LDCM0397  CL126 HCT 116 C386(0.60); C630(0.90); C733(0.98); C504(1.15)  LDD0714  [9]
 LDCM0398  CL127 HCT 116 C386(0.65); C733(0.82); C630(1.06); C504(1.19)  LDD0715  [9]
 LDCM0399  CL128 HCT 116 C386(0.38); C630(0.86); C504(1.02); C733(1.05)  LDD0716  [9]
 LDCM0400  CL13 HCT 116 C386(0.74); C733(0.86); C630(0.87); C505(1.01)  LDD0717  [9]
 LDCM0401  CL14 HCT 116 C386(0.83); C630(0.89); C733(0.93); C505(0.95)  LDD0718  [9]
 LDCM0402  CL15 HCT 116 C386(0.89); C733(0.96); C504(0.99); C630(1.04)  LDD0719  [9]
 LDCM0403  CL16 HCT 116 C733(0.62); C341(0.87); C386(0.93); C504(1.01)  LDD0720  [9]
 LDCM0404  CL17 HCT 116 C341(0.78); C733(0.83); C504(0.90); C505(0.96)  LDD0721  [9]
 LDCM0405  CL18 HCT 116 C733(0.69); C504(0.98); C505(0.99); C341(1.05)  LDD0722  [9]
 LDCM0406  CL19 HCT 116 C733(0.81); C341(0.87); C386(0.88); C630(0.99)  LDD0723  [9]
 LDCM0407  CL2 HCT 116 C733(0.76); C630(1.01); C386(1.06); C341(1.08)  LDD0724  [9]
 LDCM0408  CL20 HCT 116 C386(0.41); C341(0.56); C733(0.63); C504(0.70)  LDD0725  [9]
 LDCM0409  CL21 HCT 116 C386(0.38); C341(0.62); C504(0.71); C630(0.74)  LDD0726  [9]
 LDCM0410  CL22 HCT 116 C386(0.33); C504(0.73); C341(0.75); C733(0.87)  LDD0727  [9]
 LDCM0411  CL23 HCT 116 C386(0.51); C733(0.74); C504(0.76); C505(0.79)  LDD0728  [9]
 LDCM0412  CL24 HCT 116 C341(0.68); C386(0.35); C504(0.71); C505(0.85)  LDD0729  [9]
 LDCM0413  CL25 HCT 116 C341(0.54); C386(0.38); C504(0.69); C505(0.85)  LDD0730  [9]
 LDCM0414  CL26 HCT 116 C341(0.77); C386(0.61); C504(0.73); C505(0.80)  LDD0731  [9]
 LDCM0415  CL27 HCT 116 C341(0.78); C386(0.64); C504(0.84); C505(0.91)  LDD0732  [9]
 LDCM0416  CL28 HCT 116 C341(0.63); C386(0.56); C504(0.77); C505(0.91)  LDD0733  [9]
 LDCM0417  CL29 HCT 116 C341(0.81); C386(0.52); C504(0.81); C505(0.89)  LDD0734  [9]
 LDCM0418  CL3 HCT 116 C341(1.19); C386(0.85); C504(1.05); C505(1.13)  LDD0735  [9]
 LDCM0419  CL30 HCT 116 C341(0.91); C386(0.87); C504(1.27); C505(1.52)  LDD0736  [9]
 LDCM0420  CL31 HCT 116 C341(0.84); C386(0.64); C504(0.96); C505(1.11)  LDD0737  [9]
 LDCM0421  CL32 HCT 116 C341(0.93); C386(1.37); C504(0.76); C505(0.89)  LDD0738  [9]
 LDCM0422  CL33 HCT 116 C341(0.81); C386(0.75); C504(0.92); C505(1.17)  LDD0739  [9]
 LDCM0423  CL34 HCT 116 C341(0.68); C386(0.30); C504(0.79); C505(0.92)  LDD0740  [9]
 LDCM0424  CL35 HCT 116 C341(0.72); C386(0.24); C504(0.71); C505(0.87)  LDD0741  [9]
 LDCM0425  CL36 HCT 116 C341(0.65); C386(0.28); C504(0.75); C505(0.82)  LDD0742  [9]
 LDCM0426  CL37 HCT 116 C341(0.65); C386(0.23); C504(0.88); C505(0.91)  LDD0743  [9]
 LDCM0428  CL39 HCT 116 C341(0.63); C386(0.27); C504(0.67); C505(0.73)  LDD0745  [9]
 LDCM0429  CL4 HCT 116 C341(0.95); C386(0.77); C504(1.30); C505(1.14)  LDD0746  [9]
 LDCM0430  CL40 HCT 116 C341(0.61); C386(0.32); C504(0.75); C505(0.90)  LDD0747  [9]
 LDCM0431  CL41 HCT 116 C341(0.71); C386(0.33); C504(0.80); C505(0.98)  LDD0748  [9]
 LDCM0432  CL42 HCT 116 C341(0.65); C386(0.27); C504(1.01); C505(1.08)  LDD0749  [9]
 LDCM0433  CL43 HCT 116 C341(0.58); C386(0.25); C504(0.79); C505(0.92)  LDD0750  [9]
 LDCM0434  CL44 HCT 116 C341(0.76); C386(0.48); C504(0.86); C505(1.25)  LDD0751  [9]
 LDCM0435  CL45 HCT 116 C341(0.74); C386(0.40); C504(0.85); C505(0.99)  LDD0752  [9]
 LDCM0436  CL46 HCT 116 C386(1.12); C504(1.34); C505(1.17); C630(1.05)  LDD0753  [9]
 LDCM0437  CL47 HCT 116 C386(1.07); C504(1.99); C505(1.56); C630(1.00)  LDD0754  [9]
 LDCM0438  CL48 HCT 116 C386(1.08); C504(1.61); C505(1.37); C630(0.94)  LDD0755  [9]
 LDCM0439  CL49 HCT 116 C386(0.79); C504(1.13); C505(1.22); C630(1.01)  LDD0756  [9]
 LDCM0440  CL5 HCT 116 C341(1.14); C386(0.73); C504(1.32); C505(1.12)  LDD0757  [9]
 LDCM0441  CL50 HCT 116 C386(0.95); C504(1.67); C505(1.28); C630(0.99)  LDD0758  [9]
 LDCM0442  CL51 HCT 116 C386(1.07); C504(1.62); C505(1.22); C630(0.88)  LDD0759  [9]
 LDCM0443  CL52 HCT 116 C386(1.25); C504(1.89); C505(1.56); C630(0.87)  LDD0760  [9]
 LDCM0444  CL53 HCT 116 C386(0.93); C504(1.94); C505(1.30); C630(1.03)  LDD0761  [9]
 LDCM0445  CL54 HCT 116 C386(1.22); C504(1.37); C505(1.36); C630(0.99)  LDD0762  [9]
 LDCM0446  CL55 HCT 116 C386(1.11); C504(1.35); C505(1.23); C630(0.97)  LDD0763  [9]
 LDCM0447  CL56 HCT 116 C386(0.79); C504(1.39); C505(1.04); C630(1.09)  LDD0764  [9]
 LDCM0448  CL57 HCT 116 C386(0.94); C504(1.64); C505(1.39); C630(1.01)  LDD0765  [9]
 LDCM0449  CL58 HCT 116 C386(1.11); C504(2.80); C505(1.42); C630(1.08)  LDD0766  [9]
 LDCM0450  CL59 HCT 116 C386(0.83); C504(1.53); C505(1.16); C630(0.93)  LDD0767  [9]
 LDCM0451  CL6 HCT 116 C341(1.56); C386(1.35); C504(1.28); C505(1.15)  LDD0768  [9]
 LDCM0452  CL60 HCT 116 C386(0.90); C504(1.27); C505(1.11); C630(0.99)  LDD0769  [9]
 LDCM0453  CL61 HCT 116 C504(0.98); C505(1.00); C630(0.91); C733(0.79)  LDD0770  [9]
 LDCM0454  CL62 HCT 116 C504(0.93); C505(0.90); C630(1.01); C733(0.86)  LDD0771  [9]
 LDCM0455  CL63 HCT 116 C504(0.87); C505(0.90); C630(0.96); C733(0.95)  LDD0772  [9]
 LDCM0456  CL64 HCT 116 C504(0.74); C505(0.81); C630(0.95); C733(0.84)  LDD0773  [9]
 LDCM0457  CL65 HCT 116 C504(1.00); C505(1.08); C630(0.96); C733(0.99)  LDD0774  [9]
 LDCM0458  CL66 HCT 116 C504(0.61); C505(0.67); C630(0.74); C733(1.02)  LDD0775  [9]
 LDCM0459  CL67 HCT 116 C504(0.68); C505(0.74); C630(0.81); C733(1.26)  LDD0776  [9]
 LDCM0460  CL68 HCT 116 C504(0.99); C505(0.90); C630(1.02); C733(0.94)  LDD0777  [9]
 LDCM0461  CL69 HCT 116 C504(1.37); C505(1.23); C630(1.25); C733(0.77)  LDD0778  [9]
 LDCM0462  CL7 HCT 116 C341(1.69); C386(0.66); C504(0.76); C505(0.77)  LDD0779  [9]
 LDCM0463  CL70 HCT 116 C504(1.08); C505(0.83); C630(1.03); C733(0.85)  LDD0780  [9]
 LDCM0464  CL71 HCT 116 C504(0.92); C505(0.77); C630(0.90); C733(0.86)  LDD0781  [9]
 LDCM0465  CL72 HCT 116 C504(0.85); C505(0.90); C630(1.06); C733(0.50)  LDD0782  [9]
 LDCM0466  CL73 HCT 116 C504(0.78); C505(0.78); C630(0.91); C733(0.89)  LDD0783  [9]
 LDCM0467  CL74 HCT 116 C504(0.78); C505(0.75); C630(0.90); C733(0.89)  LDD0784  [9]
 LDCM0469  CL76 HCT 116 C341(0.98); C386(1.06); C504(0.93); C505(0.73)  LDD0786  [9]
 LDCM0470  CL77 HCT 116 C341(0.90); C386(0.79); C504(0.75); C505(0.64)  LDD0787  [9]
 LDCM0471  CL78 HCT 116 C341(0.94); C386(0.74); C504(0.81); C505(0.70)  LDD0788  [9]
 LDCM0472  CL79 HCT 116 C341(0.84); C386(0.61); C504(0.59); C505(0.51)  LDD0789  [9]
 LDCM0473  CL8 HCT 116 C341(0.80); C386(0.55); C504(0.61); C505(0.58)  LDD0790  [9]
 LDCM0474  CL80 HCT 116 C341(1.17); C386(1.15); C504(1.05); C505(1.06)  LDD0791  [9]
 LDCM0475  CL81 HCT 116 C341(1.01); C386(0.66); C504(0.81); C505(0.70)  LDD0792  [9]
 LDCM0476  CL82 HCT 116 C341(0.93); C386(0.58); C504(0.72); C505(0.65)  LDD0793  [9]
 LDCM0477  CL83 HCT 116 C341(0.86); C386(0.54); C504(0.59); C505(0.51)  LDD0794  [9]
 LDCM0478  CL84 HCT 116 C341(0.73); C386(0.62); C504(0.71); C505(0.59)  LDD0795  [9]
 LDCM0479  CL85 HCT 116 C341(0.94); C386(0.69); C504(0.73); C505(0.61)  LDD0796  [9]
 LDCM0480  CL86 HCT 116 C341(1.00); C386(0.89); C504(0.71); C505(0.58)  LDD0797  [9]
 LDCM0481  CL87 HCT 116 C341(0.91); C386(0.76); C504(0.75); C505(0.59)  LDD0798  [9]
 LDCM0482  CL88 HCT 116 C341(0.79); C386(0.60); C504(0.53); C505(0.47)  LDD0799  [9]
 LDCM0483  CL89 HCT 116 C341(0.84); C386(0.61); C504(0.75); C505(0.61)  LDD0800  [9]
 LDCM0484  CL9 HCT 116 C341(1.06); C386(0.70); C504(0.80); C505(0.76)  LDD0801  [9]
 LDCM0485  CL90 HCT 116 C341(1.02); C386(1.12); C504(0.98); C505(0.77)  LDD0802  [9]
 LDCM0486  CL91 HCT 116 C341(1.00); C386(0.93); C504(1.26); C505(1.21)  LDD0803  [9]
 LDCM0487  CL92 HCT 116 C341(1.07); C386(1.09); C504(1.03); C505(1.13)  LDD0804  [9]
 LDCM0488  CL93 HCT 116 C341(1.13); C386(1.08); C504(1.10); C505(1.00)  LDD0805  [9]
 LDCM0489  CL94 HCT 116 C341(0.96); C386(1.11); C504(1.68); C505(1.10)  LDD0806  [9]
 LDCM0490  CL95 HCT 116 C341(0.88); C386(0.95); C504(0.97); C505(1.02)  LDD0807  [9]
 LDCM0491  CL96 HCT 116 C341(1.00); C386(1.03); C504(1.04); C505(1.05)  LDD0808  [9]
 LDCM0492  CL97 HCT 116 C341(0.89); C386(0.81); C504(1.00); C505(1.04)  LDD0809  [9]
 LDCM0493  CL98 HCT 116 C341(0.93); C386(0.99); C504(1.26); C505(1.08)  LDD0810  [9]
 LDCM0494  CL99 HCT 116 C341(1.01); C386(0.89); C504(1.38); C505(1.02)  LDD0811  [9]
 LDCM0634  CY-0357 Hep-G2 C630(0.69)  LDD2228  [23]
 LDCM0495  E2913 HEK-293T C341(1.03); C630(0.97)  LDD1698  [28]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C630(1.34)  LDD1702  [6]
 LDCM0625  F8 Ramos C630(0.95)  LDD2187  [29]
 LDCM0572  Fragment10 Ramos C630(0.72)  LDD2189  [29]
 LDCM0573  Fragment11 Ramos C630(5.47)  LDD2190  [29]
 LDCM0574  Fragment12 Ramos C630(0.56)  LDD2191  [29]
 LDCM0575  Fragment13 Ramos C630(0.94)  LDD2192  [29]
 LDCM0576  Fragment14 Ramos C630(0.75)  LDD2193  [29]
 LDCM0579  Fragment20 Ramos C630(0.55)  LDD2194  [29]
 LDCM0580  Fragment21 Ramos C630(1.16)  LDD2195  [29]
 LDCM0582  Fragment23 Ramos C630(1.02)  LDD2196  [29]
 LDCM0586  Fragment28 Ramos C630(1.03)  LDD2198  [29]
 LDCM0588  Fragment30 Ramos C630(0.95)  LDD2199  [29]
 LDCM0589  Fragment31 Ramos C630(0.96)  LDD2200  [29]
 LDCM0590  Fragment32 Ramos C630(0.60)  LDD2201  [29]
 LDCM0468  Fragment33 HCT 116 C504(0.72); C505(0.80); C630(0.87); C733(0.93)  LDD0785  [9]
 LDCM0596  Fragment38 Ramos C630(1.42)  LDD2203  [29]
 LDCM0566  Fragment4 Ramos C630(0.89)  LDD2184  [29]
 LDCM0427  Fragment51 HCT 116 C341(0.60); C386(0.24); C504(0.83); C505(0.93)  LDD0744  [9]
 LDCM0614  Fragment56 Ramos C630(0.97)  LDD2205  [29]
 LDCM0569  Fragment7 Ramos C630(0.40)  LDD2186  [29]
 LDCM0571  Fragment9 Ramos C630(0.71)  LDD2188  [29]
 LDCM0116  HHS-0101 DM93 Y147(0.42)  LDD0264  [8]
 LDCM0117  HHS-0201 DM93 Y147(0.06)  LDD0265  [8]
 LDCM0118  HHS-0301 DM93 Y147(0.69)  LDD0266  [8]
 LDCM0119  HHS-0401 DM93 Y147(1.01)  LDD0267  [8]
 LDCM0120  HHS-0701 DM93 Y147(0.55)  LDD0268  [8]
 LDCM0107  IAA HeLa C733(0.00); H576(0.00); H399(0.00)  LDD0221  [21]
 LDCM0022  KB02 HCT 116 C630(1.16); C386(1.46)  LDD0080  [9]
 LDCM0023  KB03 HCT 116 C630(1.12); C386(1.47)  LDD0081  [9]
 LDCM0024  KB05 HCT 116 C630(1.80); C386(1.71)  LDD0082  [9]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C630(0.59); C341(0.70); C733(0.93)  LDD2121  [6]
 LDCM0109  NEM HeLa H576(0.00); C341(0.00); H399(0.00)  LDD0223  [21]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C630(0.50); C341(0.51); C453(1.41); C733(1.07)  LDD2089  [6]
 LDCM0497  Nucleophilic fragment 11b MDA-MB-231 C630(0.93)  LDD2090  [6]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C630(1.14)  LDD2092  [6]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C630(0.76); C341(1.38)  LDD2093  [6]
 LDCM0501  Nucleophilic fragment 13b MDA-MB-231 C630(2.47)  LDD2094  [6]
 LDCM0503  Nucleophilic fragment 14b MDA-MB-231 C630(0.13); C505(1.18); C504(1.49)  LDD2096  [6]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C630(1.05)  LDD2097  [6]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C630(0.32); C733(1.36)  LDD2098  [6]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C630(1.10); C733(1.15); C386(1.02)  LDD2099  [6]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C505(0.80); C341(0.39)  LDD2100  [6]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C630(1.29)  LDD2101  [6]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C505(1.91)  LDD2104  [6]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C630(1.73)  LDD2105  [6]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C505(1.56); C341(0.24)  LDD2106  [6]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C630(1.08); C341(1.27); C733(1.12); C504(0.73)  LDD2107  [6]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C505(1.96)  LDD2108  [6]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C630(0.46); C341(0.99); C733(0.51); C386(0.61)  LDD2109  [6]
 LDCM0517  Nucleophilic fragment 21b MDA-MB-231 C505(0.51); C341(0.51)  LDD2110  [6]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C630(0.85); C505(2.34)  LDD2111  [6]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C630(0.62)  LDD2115  [6]
 LDCM0523  Nucleophilic fragment 24b MDA-MB-231 C630(0.62); C453(0.38)  LDD2116  [6]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C630(0.22); C733(0.96)  LDD2118  [6]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C630(1.73); C341(1.18); C733(1.81)  LDD2119  [6]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C630(0.68); C341(0.50); C733(0.72)  LDD2120  [6]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C630(0.15); C453(0.19); C504(2.01)  LDD2122  [6]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C630(0.74); C505(1.23); C341(0.99); C733(0.96)  LDD2123  [6]
 LDCM0531  Nucleophilic fragment 28b MDA-MB-231 C453(0.17); C733(0.42)  LDD2124  [6]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C505(1.04); C341(1.09); C733(0.70); C504(0.76)  LDD2125  [6]
 LDCM0533  Nucleophilic fragment 29b MDA-MB-231 C630(0.11); C453(0.21); C733(0.82)  LDD2126  [6]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C630(0.85); C505(0.76); C341(1.20); C504(0.91)  LDD2127  [6]
 LDCM0535  Nucleophilic fragment 30b MDA-MB-231 C630(0.56); C341(0.86); C733(0.87)  LDD2128  [6]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C630(1.25); C505(2.49)  LDD2129  [6]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C630(0.73)  LDD2133  [6]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C630(1.39); C341(2.75); C733(2.47)  LDD2135  [6]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C630(1.17); C505(1.39); C341(1.52); C733(0.88)  LDD2136  [6]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C630(0.87); C505(0.81); C341(0.94); C733(0.93)  LDD2137  [6]
 LDCM0211  Nucleophilic fragment 3b MDA-MB-231 C733(3.33); C630(2.14)  LDD1700  [6]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C630(0.99); C733(0.90); C386(0.87)  LDD2140  [6]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C505(1.04); C341(0.52)  LDD2141  [6]
 LDCM0549  Nucleophilic fragment 43 MDA-MB-231 C630(0.71); C341(0.82)  LDD2143  [6]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C630(2.23); C341(1.14); C733(1.60)  LDD2144  [6]
 LDCM0551  Nucleophilic fragment 5b MDA-MB-231 C386(1.15)  LDD2145  [6]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C630(0.89)  LDD2146  [6]
 LDCM0553  Nucleophilic fragment 6b MDA-MB-231 C630(1.53); C341(1.15)  LDD2147  [6]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C630(0.54); C386(0.97)  LDD2148  [6]
 LDCM0555  Nucleophilic fragment 7b MDA-MB-231 C630(0.15); C453(0.15)  LDD2149  [6]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C630(0.39); C341(0.84); C453(0.27)  LDD2150  [6]
 LDCM0557  Nucleophilic fragment 8b MDA-MB-231 C630(0.14); C453(0.18); C733(0.34); C504(1.21)  LDD2151  [6]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C630(1.04)  LDD2153  [6]
 LDCM0131  RA190 MM1.R C630(1.04)  LDD0304  [30]
 LDCM0021  THZ1 HCT 116 C630(1.03)  LDD2173  [9]

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
Tyrosine-protein kinase ABL1 (ABL1) Tyr protein kinase family P00519
Transcription factor
Click To Hide/Show 2 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Homeobox protein Nkx-3.1 (NKX3-1) NK-3 homeobox family Q99801
Myc proto-oncogene protein (MYC) . P01106
Other
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Actin nucleation-promoting factor WAS (WAS) . P42768

The Drug(s) Related To This Target

Approved
Click To Hide/Show 11 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
B-lactams Small molecular drug D04AIT
Dactinomycin Small molecular drug DB00970
Doxorubicin Small molecular drug DB00997
Hexylresorcinol Small molecular drug DB11254
Irinotecan Small molecular drug D07HOB
Sodium Stibogluconate Small molecular drug DB05630
Topetecan Small molecular drug D0Z4XW
Topotecan Small molecular drug D02PMO
Belotecan Hydrocholoride . D06VYE
Sacituzumab Govitecan . DB12893
Trastuzumab Deruxtecan . DB14962
Phase 3
Click To Hide/Show 6 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Camptothecin Small molecular drug D09YDM
Edotecarin Small molecular drug D0I1DW
Etirinotecan Pegol Small molecular drug D0H5IZ
Exatecan Small molecular drug D01FUC
Karenitecin Small molecular drug D02CZK
Rubitecan Small molecular drug D0Y1FO
Phase 2
Click To Hide/Show 16 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Ds-7300 Antibody drug conjugate DT8R1L
9-aminocamptothecin Small molecular drug D07UHX
Ar-67 Small molecular drug D0M6BA
Beta-lapachone Small molecular drug D0W0VD
Ckd602 Small molecular drug D0U6ML
Diflomotecan Small molecular drug D00XCX
Gimatecan Small molecular drug D00BZS
Le-sn38 Small molecular drug D0B6YB
Peg-sn38 Small molecular drug D05UFP
Pegamotecan Small molecular drug D0D4CX
Crlx101 . D0ND9T
Eq-917 . D06XCF
Pen-866 . D0RS4X
Polyglutamate Camptothecin . D0K0IS
Tlc-388 . D02PAW
Xr-5000 . D08EES
Phase 1
Click To Hide/Show 18 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Ds-6157 Antibody drug conjugate DJ4X7D
Afeletecan Small molecular drug D07PMG
Cz-48 Small molecular drug D0Z5VG
Daniquidone Small molecular drug D07BXE
Drf-1042 Small molecular drug D09CZS
Elomotecan Hydrochloride Small molecular drug D0E1VV
Genz-644282 Small molecular drug D0A1LS
Intoplicine Small molecular drug D05GUK
Lmp400 Small molecular drug DV3WF1
Lmp744 Small molecular drug DDXH71
Namitecan Small molecular drug D04TIJ
Abi-011 . D0P4KU
Dfp 13318 . D0U0BP
Gz402674 . D0BW2N
It-141 . D0K6QU
Mln-576 . D0Y1GJ
Tafluposide . D07DAU
Xmt-1001 . D0Z7FK
Clinical trial
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
(S)-drf-1042 Small molecular drug D0M8KY
Investigative
Click To Hide/Show 39 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
(5z,9z)-5,9-heptacosadienoic Acid Small molecular drug D01QKX
10-hydroxycamptothecin Small molecular drug D07ILP
2,3-dimethoxybenzo[I]Phenanthridines Small molecular drug D02MMY
3,3'-(4-phenylpyridine-2,6-diyl)Diphenol Small molecular drug D0MI5C
3-(4-phenyl-2,4'-bipyridin-6-yl)Phenol Small molecular drug D0I6EJ
3-(4-phenyl-6-(Thiophen-2-yl)Pyridin-2-yl)-phenol Small molecular drug D00WYS
3-(4-phenyl-6-(Thiophen-3-yl)Pyridin-2-yl)-phenol Small molecular drug D03JZQ
3-(6-phenyl-2,4'-bipyridin-4-yl)Phenol Small molecular drug D0M0WX
4-(4,6-diphenylpyridin-2-yl)Phenol Small molecular drug D01EGN
4-(6-phenyl-2,4'-bipyridin-4-yl)Phenol Small molecular drug D0TH1I
4-hydroxysaprothoquinone Small molecular drug D04DJM
5-hydroxy-1h-indole-3-acetic Acid Small molecular drug D02VPC
7-amino-4-hydroxy-2-naphthalenesulfonic Acid Small molecular drug D00SSW
7-ethyl-10-hydroxycamptothecin Small molecular drug DB05482
Cho793076 Small molecular drug D0RL8X
Cositecan Small molecular drug DB05806
Crisnatol Mesilate Small molecular drug D01ILT
Dibenzo-p-dioxin-2-carboxylic Acid Small molecular drug D0DW4J
Elsamitrucin Small molecular drug DB05129
Kt6006 Small molecular drug D08VGL
Kt6528 Small molecular drug D06VGG
Lucanthone Small molecular drug DB04967
Nogalamycin Small molecular drug D03RLA
Nsc-341622 Small molecular drug D0K0WK
Quinizarin Small molecular drug D0Y6OK
Rosettacin Small molecular drug D01JEX
Topostatin Small molecular drug D0L8BN
23-dimethoxy-12h-[13]Dioxolo[56]Indeno[12-c]Isoquinolin-6-ium . DB07354
4-(511-dioxo-5h-indeno[12-c]Isoquinolin-6(11h)-yl)Butanoate . DB08159
A35566-a . D0A6NP
Ati-1150 . D04VPP
Dts-108 . D0C0AA
E-758 . D03QAS
Homocamptothecins (Hcpts) . D0G8ZX
Idn-5174 . D0N0VW
Idn-6384 . D07VJK
Men-14295 . D0E6QI
Ser-203 . D0Z1VE
Th-1320 . D00QTU
Discontinued
Click To Hide/Show 13 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Atiratecan Small molecular drug D08ODH
Be-13793c Small molecular drug D0B3CT
Becatecarin Small molecular drug D0N1FR
Bn-80245 Small molecular drug D0J7AI
Datelliptium Chloride Small molecular drug D0T7WQ
Ed-110 Small molecular drug D0T6VU
Lurtotecan Small molecular drug D0Q7FC
Nk-611 Small molecular drug D05ZQV
Piroxantrone Small molecular drug D0OH5V
S-16020-2 Small molecular drug D07YCR
Cz-112 . D06UFH
De-310 . D0H2DN
Tan-1496 . D0G9RW

References

1 Comparison of Different Competitive Proteome Profiling Approaches in Target Identification of Covalent Inhibitors. Chembiochem. 2022 Dec 16;23(24):e202200389. doi: 10.1002/cbic.202200389. Epub 2022 Nov 22.
2 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.
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 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.
6 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
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 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
11 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.
12 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
13 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
14 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
15 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
16 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
17 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
18 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
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Mass spectrometry data entry: PXD001377 , PXD005252
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.
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Mass spectrometry data entry: PXD041264
24 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: PXD007094
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Mass spectrometry data entry: PXD044402
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Mass spectrometry data entry: PXD027578
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