Details of the Target

General Information of Target

Target ID LDTP04135
Target Name Glutamine--tRNA ligase (QARS1)
Gene Name QARS1
Gene ID 5859
Synonyms
QARS; Glutamine--tRNA ligase; EC 6.1.1.18; Glutaminyl-tRNA synthetase; GlnRS
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MAALDSLSLFTSLGLSEQKARETLKNSALSAQLREAATQAQQTLGSTIDKATGILLYGLA
SRLRDTRRLSFLVSYIASKKIHTEPQLSAALEYVRSHPLDPIDTVDFERECGVGVIVTPE
QIEEAVEAAINRHRPQLLVERYHFNMGLLMGEARAVLKWADGKMIKNEVDMQVLHLLGPK
LEADLEKKFKVAKARLEETDRRTAKDVVENGETADQTLSLMEQLRGEALKFHKPGENYKT
PGYVVTPHTMNLLKQHLEITGGQVRTRFPPEPNGILHIGHAKAINFNFGYAKANNGICFL
RFDDTNPEKEEAKFFTAICDMVAWLGYTPYKVTYASDYFDQLYAWAVELIRRGLAYVCHQ
RGEELKGHNTLPSPWRDRPMEESLLLFEAMRKGKFSEGEATLRMKLVMEDGKMDPVAYRV
KYTPHHRTGDKWCIYPTYDYTHCLCDSIEHITHSLCTKEFQARRSSYFWLCNALDVYCPV
QWEYGRLNLHYAVVSKRKILQLVATGAVRDWDDPRLFTLTALRRRGFPPEAINNFCARVG
VTVAQTTMEPHLLEACVRDVLNDTAPRAMAVLESLRVIITNFPAAKSLDIQVPNFPADET
KGFHQVPFAPIVFIERTDFKEEPEPGFKRLAWGQPVGLRHTGYVIELQHVVKGPSGCVES
LEVTCRRADAGEKPKAFIHWVSQPLMCEVRLYERLFQHKNPEDPTEVPGGFLSDLNLASL
HVVDAALVDCSVALAKPFDKFQFERLGYFSVDPDSHQGKLVFNRTVTLKEDPGKV
Target Bioclass
Enzyme
Family
Class-I aminoacyl-tRNA synthetase family
Subcellular location
Cytoplasm, cytosol
Function Glutamine--tRNA ligase. Plays a critical role in brain development.
Uniprot ID
P47897
Ensemble ID
ENST00000306125.12
HGNC ID
HGNC:9751
ChEMBL ID
CHEMBL3054

Target Site Mutations in Different Cell Lines

Cell line Mutation details Probe for labeling this protein in this cell
22RV1 SNV: p.A400V DBIA    Probe Info 
COLO679 SNV: p.V650A DBIA    Probe Info 
HCT15 SNV: p.R301H DBIA    Probe Info 
HT SNV: p.Y491C DBIA    Probe Info 
LS123 SNV: p.V416L DBIA    Probe Info 
NB1 SNV: p.R403W DBIA    Probe Info 
NCIH1299 SNV: p.A36V; p.T43S m-APA    Probe Info 
OVK18 Deletion: p.L99WfsTer19 DBIA    Probe Info 

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 34 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
m-APA
 Probe Info  		14.98  LDD0402  [1]
A-EBA
 Probe Info  		3.61  LDD0215  [2]
N1
 Probe Info  		100.00  LDD0242  [3]
W1
 Probe Info  		10.64  LDD0235  [4]
TH211
 Probe Info  		Y238(14.97)  LDD0257  [5]
YN-1
 Probe Info  		100.00  LDD0444  [6]
STPyne
 Probe Info  		K166(6.71); K366(6.07); K412(5.77); K421(9.92)  LDD0277  [7]
Probe 1
 Probe Info  		Y643(22.69)  LDD3495  [8]
BTD
 Probe Info  		C298(0.70)  LDD2089  [9]
Johansson_61
 Probe Info  		_(4.16)  LDD1485  [10]
AHL-Pu-1
 Probe Info  		C665(2.23); C657(2.03)  LDD0168  [11]
DBIA
 Probe Info  		C358(1.33); C657(1.17); C665(1.17); C536(0.97)  LDD0078  [12]
5E-2FA
 Probe Info  		H82(0.00); H175(0.00)  LDD2235  [13]
ATP probe
 Probe Info  		K366(0.00); K412(0.00); K769(0.00); K586(0.00)  LDD0199  [14]
4-Iodoacetamidophenylacetylene
 Probe Info  		C687(0.00); C298(0.00); C111(0.00); C319(0.00)  LDD0038  [15]
IA-alkyne
 Probe Info  		C298(0.00); C657(0.00)  LDD0032  [16]
Lodoacetamide azide
 Probe Info  		C687(0.00); C298(0.00); C111(0.00); C319(0.00)  LDD0037  [15]
NAIA_4
 Probe Info  		C111(0.00); C536(0.00); C556(0.00); C730(0.00)  LDD2226  [17]
WYneN
 Probe Info  		N.A.  LDD0021  [18]
Compound 10
 Probe Info  		C298(0.00); C536(0.00)  LDD2216  [19]
IPM
 Probe Info  		N.A.  LDD0005  [18]
NHS
 Probe Info  		K498(0.00); K25(0.00)  LDD0010  [18]
PPMS
 Probe Info  		N.A.  LDD0008  [18]
SF
 Probe Info  		K421(0.00); K628(0.00)  LDD0028  [20]
TFBX
 Probe Info  		C556(0.00); C298(0.00); C536(0.00)  LDD0148  [21]
Phosphinate-6
 Probe Info  		N.A.  LDD0018  [22]
Ox-W18
 Probe Info  		N.A.  LDD2175  [23]
1c-yne
 Probe Info  		K205(0.00); K586(0.00); K601(0.00); K50(0.00)  LDD0228  [24]
1d-yne
 Probe Info  		N.A.  LDD0357  [24]
Acrolein
 Probe Info  		C556(0.00); C657(0.00); C687(0.00); H175(0.00)  LDD0217  [25]
Crotonaldehyde
 Probe Info  		N.A.  LDD0219  [25]
Methacrolein
 Probe Info  		C298(0.00); C657(0.00); C665(0.00)  LDD0218  [25]
AOyne
 Probe Info  		6.30  LDD0443  [26]
NAIA_5
 Probe Info  		C687(0.00); C298(0.00); C111(0.00); C358(0.00)  LDD2223  [17]
PAL-AfBPP Probe
Click To Hide/Show 3 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
STS-1
 Probe Info  		N.A.  LDD0136  [27]
STS-2
 Probe Info  		N.A.  LDD0138  [27]
VE-P
 Probe Info  		N.A.  LDD0396  [28]

Competitor(s) Related to This Target

Competitor ID Name Cell line Binding Site(Ratio) Interaction ID Ref
 LDCM0537  2-Cyano-N,N-dimethylacetamide MDA-MB-231 C665(1.41); C298(1.06)  LDD2130  [9]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C358(1.12); C657(1.02)  LDD2117  [9]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C358(1.49)  LDD2152  [9]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C298(0.71)  LDD2132  [9]
 LDCM0538  4-(Cyanoacetyl)morpholine MDA-MB-231 C298(0.50)  LDD2131  [9]
 LDCM0025  4SU-RNA HEK-293T C665(2.23); C657(2.03)  LDD0168  [11]
 LDCM0026  4SU-RNA+native RNA HEK-293T C665(3.60); C657(3.07)  LDD0169  [11]
 LDCM0214  AC1 HCT 116 C298(1.08); C358(0.96); C471(0.57); C478(0.57)  LDD0531  [12]
 LDCM0215  AC10 HCT 116 C298(1.03); C358(1.01); C471(0.48); C478(0.48)  LDD0532  [12]
 LDCM0216  AC100 HCT 116 C298(1.60); C358(0.90); C536(0.88); C556(1.31)  LDD0533  [12]
 LDCM0217  AC101 HCT 116 C298(0.96); C358(1.01); C536(0.83); C556(1.11)  LDD0534  [12]
 LDCM0218  AC102 HCT 116 C298(1.29); C358(1.11); C536(0.83); C556(1.16)  LDD0535  [12]
 LDCM0219  AC103 HCT 116 C298(1.35); C358(0.99); C536(0.78); C556(1.03)  LDD0536  [12]
 LDCM0220  AC104 HCT 116 C298(1.23); C358(0.97); C536(0.80); C556(1.19)  LDD0537  [12]
 LDCM0221  AC105 HCT 116 C298(0.99); C358(0.93); C536(0.75); C556(1.04)  LDD0538  [12]
 LDCM0222  AC106 HCT 116 C298(1.65); C358(0.97); C536(0.81); C556(1.45)  LDD0539  [12]
 LDCM0223  AC107 HCT 116 C298(1.27); C358(0.95); C536(0.95); C556(1.08)  LDD0540  [12]
 LDCM0224  AC108 HCT 116 C298(1.27); C358(0.91); C536(0.83); C556(1.28)  LDD0541  [12]
 LDCM0225  AC109 HCT 116 C298(1.23); C358(0.92); C536(0.79); C556(1.18)  LDD0542  [12]
 LDCM0226  AC11 HCT 116 C298(0.81); C358(0.88); C471(0.50); C478(0.50)  LDD0543  [12]
 LDCM0227  AC110 HCT 116 C298(1.16); C358(1.09); C536(0.73); C556(1.09)  LDD0544  [12]
 LDCM0228  AC111 HCT 116 C298(0.94); C358(0.96); C536(0.73); C556(1.26)  LDD0545  [12]
 LDCM0229  AC112 HCT 116 C298(0.98); C358(0.92); C536(0.75); C556(1.03)  LDD0546  [12]
 LDCM0230  AC113 HCT 116 C298(1.21); C358(1.00); C471(0.96); C478(0.96)  LDD0547  [12]
 LDCM0231  AC114 HCT 116 C298(0.75); C358(1.04); C471(0.91); C478(0.91)  LDD0548  [12]
 LDCM0232  AC115 HCT 116 C298(0.70); C358(1.02); C471(0.71); C478(0.71)  LDD0549  [12]
 LDCM0233  AC116 HCT 116 C298(0.79); C358(1.14); C471(0.74); C478(0.74)  LDD0550  [12]
 LDCM0234  AC117 HCT 116 C298(0.81); C358(1.02); C471(0.92); C478(0.92)  LDD0551  [12]
 LDCM0235  AC118 HCT 116 C298(1.01); C358(1.04); C471(0.91); C478(0.91)  LDD0552  [12]
 LDCM0236  AC119 HCT 116 C298(0.89); C358(0.99); C471(0.90); C478(0.90)  LDD0553  [12]
 LDCM0237  AC12 HCT 116 C298(0.93); C358(0.97); C471(0.53); C478(0.53)  LDD0554  [12]
 LDCM0238  AC120 HCT 116 C298(0.81); C358(1.22); C471(0.83); C478(0.83)  LDD0555  [12]
 LDCM0239  AC121 HCT 116 C298(0.92); C358(0.94); C471(1.02); C478(1.02)  LDD0556  [12]
 LDCM0240  AC122 HCT 116 C298(0.86); C358(1.00); C471(0.73); C478(0.73)  LDD0557  [12]
 LDCM0241  AC123 HCT 116 C298(0.91); C358(0.96); C471(0.90); C478(0.90)  LDD0558  [12]
 LDCM0242  AC124 HCT 116 C298(0.90); C358(1.02); C471(1.00); C478(1.00)  LDD0559  [12]
 LDCM0243  AC125 HCT 116 C298(0.88); C358(1.12); C471(0.98); C478(0.98)  LDD0560  [12]
 LDCM0244  AC126 HCT 116 C298(0.82); C358(1.02); C471(0.85); C478(0.85)  LDD0561  [12]
 LDCM0245  AC127 HCT 116 C298(0.91); C358(0.93); C471(0.89); C478(0.89)  LDD0562  [12]
 LDCM0246  AC128 HCT 116 C298(1.24); C358(1.03); C536(0.72); C556(1.20)  LDD0563  [12]
 LDCM0247  AC129 HCT 116 C298(1.74); C358(0.99); C536(1.22); C556(0.93)  LDD0564  [12]
 LDCM0249  AC130 HCT 116 C298(1.33); C358(1.01); C536(0.86); C556(0.93)  LDD0566  [12]
 LDCM0250  AC131 HCT 116 C298(1.31); C358(1.04); C536(1.05); C556(0.99)  LDD0567  [12]
 LDCM0251  AC132 HCT 116 C298(1.42); C358(0.99); C536(1.10); C556(0.91)  LDD0568  [12]
 LDCM0252  AC133 HCT 116 C298(1.29); C358(1.10); C536(0.94); C556(0.88)  LDD0569  [12]
 LDCM0253  AC134 HCT 116 C298(1.34); C358(1.07); C536(0.89); C556(1.00)  LDD0570  [12]
 LDCM0254  AC135 HCT 116 C298(1.56); C358(1.10); C536(0.81); C556(0.92)  LDD0571  [12]
 LDCM0255  AC136 HCT 116 C298(1.08); C358(1.15); C536(0.94); C556(0.93)  LDD0572  [12]
 LDCM0256  AC137 HCT 116 C298(0.96); C358(1.09); C536(0.99); C556(0.86)  LDD0573  [12]
 LDCM0257  AC138 HCT 116 C298(1.23); C358(1.35); C536(0.91); C556(0.94)  LDD0574  [12]
 LDCM0258  AC139 HCT 116 C298(1.47); C358(1.08); C536(0.98); C556(0.87)  LDD0575  [12]
 LDCM0259  AC14 HCT 116 C298(0.82); C358(1.07); C471(0.47); C478(0.47)  LDD0576  [12]
 LDCM0260  AC140 HCT 116 C298(1.22); C358(1.20); C536(0.87); C556(0.77)  LDD0577  [12]
 LDCM0261  AC141 HCT 116 C298(1.08); C358(1.27); C536(0.93); C556(0.83)  LDD0578  [12]
 LDCM0262  AC142 HCT 116 C298(1.16); C358(1.27); C536(0.94); C556(0.89)  LDD0579  [12]
 LDCM0263  AC143 HCT 116 C687(0.68); C556(0.71); C471(0.91); C478(0.91)  LDD0580  [12]
 LDCM0264  AC144 HCT 116 C665(0.64); C657(0.67); C556(0.74); C471(0.87)  LDD0581  [12]
 LDCM0265  AC145 HCT 116 C687(0.77); C665(0.86); C657(0.87); C556(0.87)  LDD0582  [12]
 LDCM0266  AC146 HCT 116 C471(0.61); C478(0.61); C665(0.88); C657(0.89)  LDD0583  [12]
 LDCM0267  AC147 HCT 116 C665(0.66); C657(0.68); C556(0.73); C471(0.80)  LDD0584  [12]
 LDCM0268  AC148 HCT 116 C471(0.48); C478(0.48); C665(0.53); C657(0.64)  LDD0585  [12]
 LDCM0269  AC149 HCT 116 C471(0.56); C478(0.56); C665(0.57); C657(0.73)  LDD0586  [12]
 LDCM0270  AC15 HCT 116 C471(0.53); C478(0.53); C536(0.77); C687(0.80)  LDD0587  [12]
 LDCM0271  AC150 HCT 116 C556(0.74); C665(0.81); C657(0.94); C358(1.00)  LDD0588  [12]
 LDCM0272  AC151 HCT 116 C665(0.81); C471(0.81); C478(0.81); C687(0.86)  LDD0589  [12]
 LDCM0273  AC152 HCT 116 C665(0.69); C471(0.71); C478(0.71); C657(0.76)  LDD0590  [12]
 LDCM0274  AC153 HCT 116 C471(0.47); C478(0.47); C665(0.56); C657(0.68)  LDD0591  [12]
 LDCM0621  AC154 HCT 116 C298(1.41); C358(0.99); C471(0.73); C478(0.73)  LDD2158  [12]
 LDCM0622  AC155 HCT 116 C298(1.34); C358(0.98); C471(0.65); C478(0.65)  LDD2159  [12]
 LDCM0623  AC156 HCT 116 C298(1.30); C358(0.90); C471(1.28); C478(1.28)  LDD2160  [12]
 LDCM0624  AC157 HCT 116 C298(1.30); C358(0.94); C471(1.11); C478(1.11)  LDD2161  [12]
 LDCM0276  AC17 HCT 116 C556(0.86); C657(0.99); C665(1.05); C536(1.05)  LDD0593  [12]
 LDCM0277  AC18 HCT 116 C665(0.75); C536(0.78); C657(0.84); C556(0.86)  LDD0594  [12]
 LDCM0278  AC19 HCT 116 C556(0.73); C665(0.89); C657(0.92); C536(0.92)  LDD0595  [12]
 LDCM0279  AC2 HCT 116 C471(0.54); C478(0.54); C536(0.80); C556(0.86)  LDD0596  [12]
 LDCM0280  AC20 HCT 116 C665(0.82); C657(0.89); C687(0.96); C556(1.02)  LDD0597  [12]
 LDCM0281  AC21 HCT 116 C556(0.80); C665(0.82); C657(0.84); C536(1.02)  LDD0598  [12]
 LDCM0282  AC22 HCT 116 C556(0.81); C665(0.97); C687(1.01); C657(1.05)  LDD0599  [12]
 LDCM0283  AC23 HCT 116 C556(0.83); C665(0.91); C657(0.99); C536(1.04)  LDD0600  [12]
 LDCM0284  AC24 HCT 116 C687(0.89); C556(0.91); C358(0.97); C665(1.11)  LDD0601  [12]
 LDCM0285  AC25 HCT 116 C556(0.69); C657(0.74); C298(0.84); C358(0.88)  LDD0602  [12]
 LDCM0286  AC26 HCT 116 C556(0.54); C665(0.57); C657(0.57); C687(0.68)  LDD0603  [12]
 LDCM0287  AC27 HCT 116 C657(0.59); C665(0.61); C556(0.68); C687(0.72)  LDD0604  [12]
 LDCM0288  AC28 HCT 116 C556(0.54); C687(0.58); C657(0.60); C665(0.64)  LDD0605  [12]
 LDCM0289  AC29 HCT 116 C665(0.54); C556(0.60); C687(0.60); C657(0.65)  LDD0606  [12]
 LDCM0290  AC3 HCT 116 C471(0.72); C478(0.72); C556(0.74); C358(0.85)  LDD0607  [12]
 LDCM0291  AC30 HCT 116 C665(0.46); C556(0.53); C657(0.59); C687(0.67)  LDD0608  [12]
 LDCM0292  AC31 HCT 116 C657(0.59); C665(0.60); C556(0.71); C298(0.76)  LDD0609  [12]
 LDCM0293  AC32 HCT 116 C665(0.39); C556(0.49); C687(0.58); C657(0.60)  LDD0610  [12]
 LDCM0294  AC33 HCT 116 C665(0.59); C657(0.65); C298(0.65); C536(0.76)  LDD0611  [12]
 LDCM0295  AC34 HCT 116 C657(0.48); C665(0.51); C298(0.66); C536(0.76)  LDD0612  [12]
 LDCM0296  AC35 HCT 116 C298(0.89); C657(0.91); C556(1.00); C665(1.03)  LDD0613  [12]
 LDCM0297  AC36 HCT 116 C665(0.90); C556(0.90); C471(0.91); C478(0.91)  LDD0614  [12]
 LDCM0298  AC37 HCT 116 C556(0.73); C657(0.92); C665(0.98); C358(1.04)  LDD0615  [12]
 LDCM0299  AC38 HCT 116 C665(0.82); C657(0.86); C298(0.97); C556(0.98)  LDD0616  [12]
 LDCM0300  AC39 HCT 116 C657(0.84); C471(0.91); C478(0.91); C665(0.93)  LDD0617  [12]
 LDCM0301  AC4 HCT 116 C471(0.70); C478(0.70); C556(0.81); C536(0.82)  LDD0618  [12]
 LDCM0302  AC40 HCT 116 C687(0.76); C657(0.77); C665(0.85); C471(0.87)  LDD0619  [12]
 LDCM0303  AC41 HCT 116 C665(0.82); C556(0.92); C471(0.95); C478(0.95)  LDD0620  [12]
 LDCM0304  AC42 HCT 116 C665(0.76); C657(0.79); C687(0.86); C298(0.94)  LDD0621  [12]
 LDCM0305  AC43 HCT 116 C665(0.82); C298(0.85); C471(0.90); C478(0.90)  LDD0622  [12]
 LDCM0306  AC44 HCT 116 C687(0.81); C657(0.92); C471(0.93); C478(0.93)  LDD0623  [12]
 LDCM0307  AC45 HCT 116 C687(0.66); C298(0.85); C471(0.88); C478(0.88)  LDD0624  [12]
 LDCM0308  AC46 HCT 116 C471(0.68); C665(0.79); C478(0.81); C556(0.87)  LDD0625  [12]
 LDCM0309  AC47 HCT 116 C556(0.85); C687(0.91); C358(0.93); C536(0.95)  LDD0626  [12]
 LDCM0310  AC48 HCT 116 C478(0.62); C556(0.72); C471(0.73); C536(0.85)  LDD0627  [12]
 LDCM0311  AC49 HCT 116 C687(0.66); C556(0.69); C536(0.76); C665(0.77)  LDD0628  [12]
 LDCM0312  AC5 HCT 116 C471(0.57); C478(0.57); C536(0.81); C358(0.92)  LDD0629  [12]
 LDCM0313  AC50 HCT 116 C471(0.55); C478(0.64); C556(0.76); C687(0.77)  LDD0630  [12]
 LDCM0314  AC51 HCT 116 C471(0.71); C478(0.78); C665(0.81); C358(0.86)  LDD0631  [12]
 LDCM0315  AC52 HCT 116 C687(0.84); C471(0.89); C478(0.91); C665(0.95)  LDD0632  [12]
 LDCM0316  AC53 HCT 116 C687(0.69); C471(0.72); C478(0.73); C556(0.81)  LDD0633  [12]
 LDCM0317  AC54 HCT 116 C471(0.70); C478(0.89); C556(0.95); C536(0.95)  LDD0634  [12]
 LDCM0318  AC55 HCT 116 C471(0.60); C687(0.62); C478(0.70); C556(0.82)  LDD0635  [12]
 LDCM0319  AC56 HCT 116 C471(0.76); C556(0.79); C687(0.79); C298(0.88)  LDD0636  [12]
 LDCM0320  AC57 HCT 116 C687(0.68); C536(0.80); C657(0.99); C358(1.02)  LDD0637  [12]
 LDCM0321  AC58 HCT 116 C687(0.50); C536(0.71); C657(0.84); C665(1.06)  LDD0638  [12]
 LDCM0322  AC59 HCT 116 C687(0.63); C536(0.79); C665(0.99); C298(1.00)  LDD0639  [12]
 LDCM0323  AC6 HCT 116 C471(0.54); C478(0.54); C536(0.75); C298(0.85)  LDD0640  [12]
 LDCM0324  AC60 HCT 116 C687(0.67); C536(0.79); C298(0.79); C665(0.82)  LDD0641  [12]
 LDCM0325  AC61 HCT 116 C687(0.78); C536(0.79); C556(1.04); C358(1.11)  LDD0642  [12]
 LDCM0326  AC62 HCT 116 C687(0.51); C536(0.77); C298(0.92); C665(0.93)  LDD0643  [12]
 LDCM0327  AC63 HCT 116 C687(0.68); C298(0.80); C536(0.81); C657(0.89)  LDD0644  [12]
 LDCM0328  AC64 HCT 116 C687(0.49); C298(0.74); C657(0.79); C536(0.84)  LDD0645  [12]
 LDCM0329  AC65 HCT 116 C687(0.74); C536(0.76); C556(0.92); C665(0.95)  LDD0646  [12]
 LDCM0330  AC66 HCT 116 C687(0.71); C536(0.75); C556(0.91); C298(0.95)  LDD0647  [12]
 LDCM0331  AC67 HCT 116 C687(0.45); C298(0.62); C536(0.69); C556(0.83)  LDD0648  [12]
 LDCM0332  AC68 HCT 116 C556(0.78); C657(0.80); C471(0.87); C478(0.87)  LDD0649  [12]
 LDCM0333  AC69 HCT 116 C471(0.71); C478(0.71); C657(0.73); C556(0.78)  LDD0650  [12]
 LDCM0334  AC7 HCT 116 C471(0.47); C478(0.47); C536(0.78); C687(0.80)  LDD0651  [12]
 LDCM0335  AC70 HCT 116 C471(0.49); C478(0.49); C556(0.67); C657(0.69)  LDD0652  [12]
 LDCM0336  AC71 HCT 116 C471(0.73); C478(0.73); C556(0.90); C358(1.01)  LDD0653  [12]
 LDCM0337  AC72 HCT 116 C556(0.72); C471(0.85); C478(0.85); C687(0.85)  LDD0654  [12]
 LDCM0338  AC73 HCT 116 C687(0.66); C556(0.69); C471(0.69); C478(0.69)  LDD0655  [12]
 LDCM0339  AC74 HCT 116 C471(0.67); C478(0.67); C657(0.72); C687(0.72)  LDD0656  [12]
 LDCM0340  AC75 HCT 116 C556(0.72); C471(0.80); C478(0.80); C687(0.81)  LDD0657  [12]
 LDCM0341  AC76 HCT 116 C657(0.70); C471(0.70); C478(0.70); C556(0.75)  LDD0658  [12]
 LDCM0342  AC77 HCT 116 C471(0.62); C478(0.62); C556(0.68); C687(0.69)  LDD0659  [12]
 LDCM0343  AC78 HCT 116 C471(0.63); C478(0.63); C556(0.76); C298(0.81)  LDD0660  [12]
 LDCM0344  AC79 HCT 116 C556(0.82); C471(0.93); C478(0.93); C665(0.94)  LDD0661  [12]
 LDCM0345  AC8 HCT 116 C471(0.52); C478(0.52); C536(0.75); C556(0.86)  LDD0662  [12]
 LDCM0346  AC80 HCT 116 C556(0.66); C687(0.75); C298(0.79); C657(0.82)  LDD0663  [12]
 LDCM0347  AC81 HCT 116 C556(0.73); C298(0.96); C657(0.98); C471(1.01)  LDD0664  [12]
 LDCM0348  AC82 HCT 116 C687(0.77); C471(0.79); C478(0.79); C556(0.79)  LDD0665  [12]
 LDCM0349  AC83 HCT 116 C687(0.55); C665(0.71); C536(0.78); C657(0.85)  LDD0666  [12]
 LDCM0350  AC84 HCT 116 C687(0.63); C665(0.70); C536(0.82); C298(0.90)  LDD0667  [12]
 LDCM0351  AC85 HCT 116 C687(0.58); C665(0.70); C536(0.83); C298(0.86)  LDD0668  [12]
 LDCM0352  AC86 HCT 116 C687(0.72); C665(0.81); C536(0.93); C657(0.95)  LDD0669  [12]
 LDCM0353  AC87 HCT 116 C687(0.72); C665(0.83); C536(0.94); C556(0.96)  LDD0670  [12]
 LDCM0354  AC88 HCT 116 C687(0.70); C665(0.85); C536(0.94); C657(0.95)  LDD0671  [12]
 LDCM0355  AC89 HCT 116 C687(0.68); C665(0.82); C536(0.83); C657(0.99)  LDD0672  [12]
 LDCM0357  AC90 HCT 116 C657(0.79); C665(0.80); C687(0.86); C358(0.93)  LDD0674  [12]
 LDCM0358  AC91 HCT 116 C687(0.56); C536(0.79); C556(0.81); C665(0.88)  LDD0675  [12]
 LDCM0359  AC92 HCT 116 C687(0.50); C665(0.69); C556(0.74); C657(0.78)  LDD0676  [12]
 LDCM0360  AC93 HCT 116 C687(0.57); C665(0.80); C536(0.85); C298(0.86)  LDD0677  [12]
 LDCM0361  AC94 HCT 116 C687(0.53); C556(0.83); C536(0.83); C298(0.94)  LDD0678  [12]
 LDCM0362  AC95 HCT 116 C687(0.76); C536(0.82); C556(0.89); C298(0.90)  LDD0679  [12]
 LDCM0363  AC96 HCT 116 C687(0.58); C536(0.82); C556(0.84); C298(1.00)  LDD0680  [12]
 LDCM0364  AC97 HCT 116 C687(0.63); C665(0.74); C536(0.81); C657(0.85)  LDD0681  [12]
 LDCM0365  AC98 HCT 116 C687(0.62); C665(0.66); C536(0.67); C556(0.88)  LDD0682  [12]
 LDCM0366  AC99 HCT 116 C687(0.67); C665(0.71); C536(0.79); C657(0.83)  LDD0683  [12]
 LDCM0545  Acetamide MDA-MB-231 C358(0.48); C298(0.48)  LDD2138  [9]
 LDCM0520  AKOS000195272 MDA-MB-231 C358(0.93)  LDD2113  [9]
 LDCM0248  AKOS034007472 HCT 116 C298(0.96); C358(0.94); C471(0.58); C478(0.58)  LDD0565  [12]
 LDCM0356  AKOS034007680 HCT 116 C471(0.63); C478(0.63); C536(0.78); C298(0.92)  LDD0673  [12]
 LDCM0275  AKOS034007705 HCT 116 C471(0.47); C478(0.47); C536(0.61); C687(0.67)  LDD0592  [12]
 LDCM0156  Aniline NCI-H1299 N.A.  LDD0404  [1]
 LDCM0020  ARS-1620 HCC44 C358(1.33); C657(1.17); C665(1.17); C536(0.97)  LDD0078  [12]
 LDCM0498  BS-3668 MDA-MB-231 C298(0.55); C556(0.82)  LDD2091  [9]
 LDCM0108  Chloroacetamide HeLa C556(0.00); C687(0.00); C298(0.00); H232(0.00)  LDD0222  [25]
 LDCM0632  CL-Sc Hep-G2 C556(0.93)  LDD2227  [17]
 LDCM0367  CL1 HCT 116 C657(0.88); C556(0.88); C536(0.89); C298(0.98)  LDD0684  [12]
 LDCM0368  CL10 HCT 116 C471(0.66); C478(0.66); C687(0.69); C536(0.74)  LDD0685  [12]
 LDCM0369  CL100 HCT 116 C471(0.62); C478(0.62); C536(0.79); C358(0.85)  LDD0686  [12]
 LDCM0370  CL101 HCT 116 C471(0.52); C478(0.52); C536(0.78); C556(0.90)  LDD0687  [12]
 LDCM0371  CL102 HCT 116 C471(0.68); C478(0.68); C536(0.78); C556(0.83)  LDD0688  [12]
 LDCM0372  CL103 HCT 116 C471(0.70); C478(0.70); C358(0.81); C298(0.84)  LDD0689  [12]
 LDCM0373  CL104 HCT 116 C471(0.58); C478(0.58); C298(0.85); C536(0.87)  LDD0690  [12]
 LDCM0374  CL105 HCT 116 C556(0.69); C657(0.84); C536(0.86); C665(0.95)  LDD0691  [12]
 LDCM0375  CL106 HCT 116 C556(0.68); C665(0.70); C657(0.71); C536(0.75)  LDD0692  [12]
 LDCM0376  CL107 HCT 116 C665(0.68); C536(0.77); C657(0.78); C556(0.83)  LDD0693  [12]
 LDCM0377  CL108 HCT 116 C556(0.66); C665(0.66); C657(0.71); C536(0.84)  LDD0694  [12]
 LDCM0378  CL109 HCT 116 C665(0.73); C657(0.86); C536(0.86); C556(0.89)  LDD0695  [12]
 LDCM0379  CL11 HCT 116 C471(0.52); C478(0.52); C687(0.63); C536(0.71)  LDD0696  [12]
 LDCM0380  CL110 HCT 116 C556(0.70); C665(0.70); C536(0.86); C687(0.89)  LDD0697  [12]
 LDCM0381  CL111 HCT 116 C556(0.74); C665(0.81); C536(0.84); C687(0.95)  LDD0698  [12]
 LDCM0382  CL112 HCT 116 C687(0.75); C665(0.76); C657(0.80); C556(0.81)  LDD0699  [12]
 LDCM0383  CL113 HCT 116 C665(0.41); C657(0.52); C687(0.65); C298(0.77)  LDD0700  [12]
 LDCM0384  CL114 HCT 116 C665(0.50); C687(0.57); C657(0.74); C536(0.80)  LDD0701  [12]
 LDCM0385  CL115 HCT 116 C665(0.53); C657(0.67); C298(0.75); C536(0.76)  LDD0702  [12]
 LDCM0386  CL116 HCT 116 C665(0.63); C657(0.66); C298(0.74); C536(0.77)  LDD0703  [12]
 LDCM0387  CL117 HCT 116 C687(0.60); C471(0.90); C478(0.90); C665(0.91)  LDD0704  [12]
 LDCM0388  CL118 HCT 116 C298(0.86); C556(0.86); C471(0.90); C478(0.90)  LDD0705  [12]
 LDCM0389  CL119 HCT 116 C687(0.72); C556(0.91); C471(0.92); C478(0.92)  LDD0706  [12]
 LDCM0390  CL12 HCT 116 C471(0.50); C478(0.50); C687(0.52); C536(0.71)  LDD0707  [12]
 LDCM0391  CL120 HCT 116 C298(0.76); C665(0.78); C657(0.86); C358(0.91)  LDD0708  [12]
 LDCM0392  CL121 HCT 116 C687(0.69); C536(0.78); C471(0.85); C298(0.92)  LDD0709  [12]
 LDCM0393  CL122 HCT 116 C471(0.66); C478(0.80); C536(0.85); C556(0.88)  LDD0710  [12]
 LDCM0394  CL123 HCT 116 C471(0.64); C478(0.67); C556(0.69); C536(0.89)  LDD0711  [12]
 LDCM0395  CL124 HCT 116 C471(0.59); C478(0.59); C556(0.61); C687(0.72)  LDD0712  [12]
 LDCM0396  CL125 HCT 116 C298(0.81); C556(0.88); C536(0.91); C358(0.96)  LDD0713  [12]
 LDCM0397  CL126 HCT 116 C298(0.89); C536(0.90); C687(1.00); C556(1.01)  LDD0714  [12]
 LDCM0398  CL127 HCT 116 C536(0.81); C298(0.90); C556(0.99); C665(1.13)  LDD0715  [12]
 LDCM0399  CL128 HCT 116 C687(0.63); C657(0.73); C536(0.77); C556(0.95)  LDD0716  [12]
 LDCM0400  CL13 HCT 116 C471(0.66); C478(0.66); C536(0.79); C687(0.89)  LDD0717  [12]
 LDCM0401  CL14 HCT 116 C657(0.78); C556(0.83); C298(0.85); C471(0.87)  LDD0718  [12]
 LDCM0402  CL15 HCT 116 C471(0.54); C478(0.54); C556(0.66); C536(0.79)  LDD0719  [12]
 LDCM0403  CL16 HCT 116 C536(0.70); C471(0.89); C478(0.89); C665(0.91)  LDD0720  [12]
 LDCM0404  CL17 HCT 116 C471(0.61); C478(0.61); C536(0.74); C556(0.84)  LDD0721  [12]
 LDCM0405  CL18 HCT 116 C471(0.47); C478(0.47); C536(0.64); C556(0.68)  LDD0722  [12]
 LDCM0406  CL19 HCT 116 C471(0.70); C478(0.70); C536(0.70); C556(0.80)  LDD0723  [12]
 LDCM0407  CL2 HCT 116 C556(0.50); C657(0.78); C358(0.94); C298(0.97)  LDD0724  [12]
 LDCM0408  CL20 HCT 116 C536(0.65); C471(0.66); C478(0.66); C556(0.94)  LDD0725  [12]
 LDCM0409  CL21 HCT 116 C471(0.60); C478(0.60); C536(0.63); C556(0.76)  LDD0726  [12]
 LDCM0410  CL22 HCT 116 C536(0.70); C471(0.71); C478(0.71); C556(0.78)  LDD0727  [12]
 LDCM0411  CL23 HCT 116 C471(0.75); C478(0.75); C536(0.77); C556(0.81)  LDD0728  [12]
 LDCM0412  CL24 HCT 116 C298(1.32); C358(1.04); C471(0.55); C478(0.55)  LDD0729  [12]
 LDCM0413  CL25 HCT 116 C298(0.64); C358(0.83); C471(0.47); C478(0.47)  LDD0730  [12]
 LDCM0414  CL26 HCT 116 C298(1.03); C358(1.01); C471(0.82); C478(0.82)  LDD0731  [12]
 LDCM0415  CL27 HCT 116 C298(1.95); C358(0.92); C471(0.73); C478(0.73)  LDD0732  [12]
 LDCM0416  CL28 HCT 116 C298(0.88); C358(1.03); C471(0.62); C478(0.62)  LDD0733  [12]
 LDCM0417  CL29 HCT 116 C298(1.09); C358(1.05); C471(0.66); C478(0.66)  LDD0734  [12]
 LDCM0418  CL3 HCT 116 C298(1.18); C358(1.28); C471(0.69); C478(0.69)  LDD0735  [12]
 LDCM0419  CL30 HCT 116 C298(0.92); C358(1.12); C471(0.77); C478(0.77)  LDD0736  [12]
 LDCM0420  CL31 HCT 116 C298(0.97); C358(1.15); C471(0.89); C478(0.89)  LDD0737  [12]
 LDCM0421  CL32 HCT 116 C298(0.76); C358(1.14); C471(0.44); C478(0.44)  LDD0738  [12]
 LDCM0422  CL33 HCT 116 C298(0.80); C358(1.03); C471(0.60); C478(0.60)  LDD0739  [12]
 LDCM0423  CL34 HCT 116 C298(0.91); C358(1.07); C471(0.51); C478(0.51)  LDD0740  [12]
 LDCM0424  CL35 HCT 116 C298(0.92); C358(1.31); C471(0.60); C478(0.60)  LDD0741  [12]
 LDCM0425  CL36 HCT 116 C298(1.11); C358(1.19); C471(0.69); C478(0.69)  LDD0742  [12]
 LDCM0426  CL37 HCT 116 C298(1.02); C358(1.26); C471(0.64); C478(0.64)  LDD0743  [12]
 LDCM0428  CL39 HCT 116 C298(0.95); C358(1.14); C471(0.47); C478(0.47)  LDD0745  [12]
 LDCM0429  CL4 HCT 116 C298(0.86); C358(1.18); C471(0.76); C478(0.76)  LDD0746  [12]
 LDCM0430  CL40 HCT 116 C298(1.14); C358(1.20); C471(0.84); C478(0.84)  LDD0747  [12]
 LDCM0431  CL41 HCT 116 C298(0.82); C358(1.15); C471(0.61); C478(0.61)  LDD0748  [12]
 LDCM0432  CL42 HCT 116 C298(1.17); C358(1.53); C471(0.59); C478(0.59)  LDD0749  [12]
 LDCM0433  CL43 HCT 116 C298(0.81); C358(1.18); C471(0.61); C478(0.61)  LDD0750  [12]
 LDCM0434  CL44 HCT 116 C298(1.09); C358(1.12); C471(0.58); C478(0.58)  LDD0751  [12]
 LDCM0435  CL45 HCT 116 C298(1.03); C358(1.08); C471(0.48); C478(0.48)  LDD0752  [12]
 LDCM0436  CL46 HCT 116 C298(0.66); C358(0.74); C536(1.10); C556(0.67)  LDD0753  [12]
 LDCM0437  CL47 HCT 116 C298(0.99); C358(0.96); C536(1.08); C556(0.69)  LDD0754  [12]
 LDCM0438  CL48 HCT 116 C298(0.98); C358(0.85); C536(1.17); C556(0.76)  LDD0755  [12]
 LDCM0439  CL49 HCT 116 C298(0.96); C358(0.72); C536(1.18); C556(0.80)  LDD0756  [12]
 LDCM0440  CL5 HCT 116 C298(1.24); C358(0.89); C471(1.02); C478(1.02)  LDD0757  [12]
 LDCM0441  CL50 HCT 116 C298(0.76); C358(0.73); C536(1.12); C556(0.70)  LDD0758  [12]
 LDCM0442  CL51 HCT 116 C298(0.73); C358(0.68); C536(1.15); C556(0.69)  LDD0759  [12]
 LDCM0443  CL52 HCT 116 C298(0.88); C358(0.78); C536(1.04); C556(0.86)  LDD0760  [12]
 LDCM0444  CL53 HCT 116 C298(0.78); C358(2.21); C536(1.08); C556(0.87)  LDD0761  [12]
 LDCM0445  CL54 HCT 116 C298(0.70); C358(0.83); C536(1.23); C556(0.78)  LDD0762  [12]
 LDCM0446  CL55 HCT 116 C298(1.11); C358(1.02); C536(1.23); C556(0.99)  LDD0763  [12]
 LDCM0447  CL56 HCT 116 C298(1.30); C358(1.29); C536(0.99); C556(0.77)  LDD0764  [12]
 LDCM0448  CL57 HCT 116 C298(1.07); C358(1.13); C536(1.17); C556(0.77)  LDD0765  [12]
 LDCM0449  CL58 HCT 116 C298(0.98); C358(0.81); C536(1.22); C556(0.73)  LDD0766  [12]
 LDCM0450  CL59 HCT 116 C298(0.81); C358(0.87); C536(1.12); C556(0.88)  LDD0767  [12]
 LDCM0451  CL6 HCT 116 C298(0.90); C358(0.85); C471(0.54); C478(0.54)  LDD0768  [12]
 LDCM0452  CL60 HCT 116 C298(0.85); C358(0.83); C536(1.06); C556(0.76)  LDD0769  [12]
 LDCM0453  CL61 HCT 116 C298(0.97); C358(0.89); C471(0.67); C478(0.67)  LDD0770  [12]
 LDCM0454  CL62 HCT 116 C298(0.93); C358(0.89); C471(0.85); C478(0.85)  LDD0771  [12]
 LDCM0455  CL63 HCT 116 C298(0.94); C358(0.94); C471(0.61); C478(0.61)  LDD0772  [12]
 LDCM0456  CL64 HCT 116 C298(0.98); C358(0.93); C471(0.79); C478(0.79)  LDD0773  [12]
 LDCM0457  CL65 HCT 116 C298(0.91); C358(0.96); C471(0.59); C478(0.59)  LDD0774  [12]
 LDCM0458  CL66 HCT 116 C298(0.86); C358(0.98); C471(0.44); C478(0.44)  LDD0775  [12]
 LDCM0459  CL67 HCT 116 C298(0.92); C358(1.04); C471(0.53); C478(0.53)  LDD0776  [12]
 LDCM0460  CL68 HCT 116 C298(0.82); C358(1.23); C471(0.50); C478(0.50)  LDD0777  [12]
 LDCM0461  CL69 HCT 116 C298(0.74); C358(0.98); C471(0.69); C478(0.69)  LDD0778  [12]
 LDCM0462  CL7 HCT 116 C298(1.02); C358(0.79); C471(0.73); C478(0.73)  LDD0779  [12]
 LDCM0463  CL70 HCT 116 C298(0.90); C358(0.92); C471(0.79); C478(0.79)  LDD0780  [12]
 LDCM0464  CL71 HCT 116 C298(0.92); C358(0.95); C471(0.59); C478(0.59)  LDD0781  [12]
 LDCM0465  CL72 HCT 116 C298(0.90); C358(0.92); C471(0.53); C478(0.53)  LDD0782  [12]
 LDCM0466  CL73 HCT 116 C298(0.89); C358(0.94); C471(0.76); C478(0.76)  LDD0783  [12]
 LDCM0467  CL74 HCT 116 C298(0.86); C358(0.95); C471(0.74); C478(0.74)  LDD0784  [12]
 LDCM0469  CL76 HCT 116 C298(1.30); C358(1.38); C471(0.74); C478(0.74)  LDD0786  [12]
 LDCM0470  CL77 HCT 116 C298(1.39); C358(1.80); C471(1.56); C478(1.56)  LDD0787  [12]
 LDCM0471  CL78 HCT 116 C298(1.20); C358(1.02); C471(0.81); C478(0.81)  LDD0788  [12]
 LDCM0472  CL79 HCT 116 C298(1.41); C358(1.07); C471(0.81); C478(0.81)  LDD0789  [12]
 LDCM0473  CL8 HCT 116 C298(0.87); C358(0.97); C471(0.49); C478(0.49)  LDD0790  [12]
 LDCM0474  CL80 HCT 116 C298(1.20); C358(1.11); C471(0.82); C478(0.82)  LDD0791  [12]
 LDCM0475  CL81 HCT 116 C298(1.07); C358(1.05); C471(1.15); C478(1.15)  LDD0792  [12]
 LDCM0476  CL82 HCT 116 C298(1.30); C358(1.25); C471(0.65); C478(0.65)  LDD0793  [12]
 LDCM0477  CL83 HCT 116 C298(1.20); C358(1.09); C471(0.66); C478(0.66)  LDD0794  [12]
 LDCM0478  CL84 HCT 116 C298(1.20); C358(1.03); C471(0.70); C478(0.70)  LDD0795  [12]
 LDCM0479  CL85 HCT 116 C298(0.99); C358(1.39); C471(0.91); C478(0.91)  LDD0796  [12]
 LDCM0480  CL86 HCT 116 C298(1.19); C358(1.22); C471(1.25); C478(1.25)  LDD0797  [12]
 LDCM0481  CL87 HCT 116 C298(1.20); C358(1.53); C471(0.73); C478(0.73)  LDD0798  [12]
 LDCM0482  CL88 HCT 116 C298(1.22); C358(1.53); C471(0.66); C478(0.66)  LDD0799  [12]
 LDCM0483  CL89 HCT 116 C298(1.35); C358(1.11); C471(0.81); C478(0.81)  LDD0800  [12]
 LDCM0484  CL9 HCT 116 C298(0.96); C358(0.88); C471(0.93); C478(0.93)  LDD0801  [12]
 LDCM0485  CL90 HCT 116 C298(1.34); C358(1.83); C471(1.43); C478(1.43)  LDD0802  [12]
 LDCM0486  CL91 HCT 116 C298(0.96); C358(1.11); C471(0.81); C478(0.81)  LDD0803  [12]
 LDCM0487  CL92 HCT 116 C298(1.00); C358(1.10); C471(0.80); C478(0.80)  LDD0804  [12]
 LDCM0488  CL93 HCT 116 C298(1.21); C358(0.89); C471(0.71); C478(0.71)  LDD0805  [12]
 LDCM0489  CL94 HCT 116 C298(1.04); C358(1.05); C471(0.60); C478(0.60)  LDD0806  [12]
 LDCM0490  CL95 HCT 116 C298(0.79); C358(0.96); C471(0.65); C478(0.65)  LDD0807  [12]
 LDCM0491  CL96 HCT 116 C298(0.90); C358(1.17); C471(0.65); C478(0.65)  LDD0808  [12]
 LDCM0492  CL97 HCT 116 C298(1.01); C358(1.03); C471(0.67); C478(0.67)  LDD0809  [12]
 LDCM0493  CL98 HCT 116 C298(0.87); C358(0.94); C471(0.58); C478(0.58)  LDD0810  [12]
 LDCM0494  CL99 HCT 116 C298(0.98); C358(0.89); C471(0.71); C478(0.71)  LDD0811  [12]
 LDCM0495  E2913 HEK-293T C358(0.90); C536(0.87); C687(0.80); C319(1.07)  LDD1698  [29]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C298(3.70); C657(2.54); C358(1.19); C556(1.03)  LDD1702  [9]
 LDCM0625  F8 Ramos C358(1.19); C298(0.68); C556(0.81)  LDD2187  [30]
 LDCM0572  Fragment10 Ramos C358(0.58); C298(0.36); C556(0.49)  LDD2189  [30]
 LDCM0573  Fragment11 Ramos C358(0.06); C556(4.44)  LDD2190  [30]
 LDCM0574  Fragment12 Ramos C358(0.66); C298(0.34); C556(0.40)  LDD2191  [30]
 LDCM0575  Fragment13 Ramos C358(0.99); C298(0.76); C556(0.60)  LDD2192  [30]
 LDCM0576  Fragment14 Ramos C358(0.60); C298(0.75); C556(0.84)  LDD2193  [30]
 LDCM0579  Fragment20 Ramos C358(0.50); C298(0.31); C556(0.56)  LDD2194  [30]
 LDCM0580  Fragment21 Ramos C358(0.92); C298(0.58); C556(0.85)  LDD2195  [30]
 LDCM0582  Fragment23 Ramos C358(0.92); C298(0.35); C556(0.66)  LDD2196  [30]
 LDCM0578  Fragment27 Ramos C358(0.86); C298(0.91); C556(1.30)  LDD2197  [30]
 LDCM0586  Fragment28 Ramos C358(0.81)  LDD2198  [30]
 LDCM0588  Fragment30 Ramos C358(0.96); C298(0.94); C556(1.11)  LDD2199  [30]
 LDCM0589  Fragment31 Ramos C358(0.80); C556(1.26)  LDD2200  [30]
 LDCM0590  Fragment32 Ramos C358(0.75); C298(0.36); C556(0.56)  LDD2201  [30]
 LDCM0468  Fragment33 HCT 116 C298(0.87); C358(0.99); C471(0.74); C478(0.74)  LDD0785  [12]
 LDCM0596  Fragment38 Ramos C358(0.88); C298(0.83); C556(0.91)  LDD2203  [30]
 LDCM0566  Fragment4 Ramos C358(0.72); C298(0.58); C556(0.57)  LDD2184  [30]
 LDCM0427  Fragment51 HCT 116 C298(1.09); C358(1.51); C471(0.57); C478(0.57)  LDD0744  [12]
 LDCM0610  Fragment52 Ramos C358(1.17); C298(1.10); C556(1.04)  LDD2204  [30]
 LDCM0614  Fragment56 Ramos C358(1.19); C298(1.20); C556(0.98)  LDD2205  [30]
 LDCM0617  Fragment63-S Jurkat _(4.67)  LDD1490  [10]
 LDCM0569  Fragment7 Jurkat _(4.16)  LDD1485  [10]
 LDCM0571  Fragment9 Ramos C358(0.54); C298(0.48); C556(0.51)  LDD2188  [30]
 LDCM0107  IAA HeLa H97(0.00); H82(0.00); H232(0.00); H368(0.00)  LDD0221  [25]
 LDCM0022  KB02 HCT 116 C298(2.28); C536(1.52); C358(1.26)  LDD0080  [12]
 LDCM0023  KB03 HCT 116 C298(3.21); C536(2.25); C358(1.48)  LDD0081  [12]
 LDCM0024  KB05 HCT 116 C298(2.53); C536(1.49); C358(1.28)  LDD0082  [12]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C298(1.10)  LDD2121  [9]
 LDCM0109  NEM HeLa H640(0.00); H649(0.00); H604(0.00); H97(0.00)  LDD0223  [25]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C298(0.70)  LDD2089  [9]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C358(1.31)  LDD2093  [9]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C358(1.56)  LDD2099  [9]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C358(1.06)  LDD2107  [9]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C358(0.75)  LDD2109  [9]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C657(1.63)  LDD2119  [9]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C298(0.73)  LDD2120  [9]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C358(1.07)  LDD2123  [9]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C358(0.99); C657(0.90)  LDD2125  [9]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C358(1.20); C657(0.75)  LDD2127  [9]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C358(1.37)  LDD2129  [9]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C358(1.15); C298(1.18)  LDD2137  [9]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C358(0.97)  LDD2140  [9]
 LDCM0549  Nucleophilic fragment 43 MDA-MB-231 C298(0.75)  LDD2143  [9]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C358(1.56)  LDD2144  [9]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C358(0.99)  LDD2146  [9]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C298(0.59)  LDD2150  [9]
 LDCM0628  OTUB2-COV-1 HEK-293T C657(0.21)  LDD2207  [31]
 LDCM0131  RA190 MM1.R C657(1.16)  LDD0304  [32]
 LDCM0021  THZ1 HCT 116 C657(1.21); C665(1.08); C358(0.78)  LDD2173  [12]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 14 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Pachytene checkpoint protein 2 homolog (TRIP13) AAA ATPase family Q15645
Putative histone-lysine N-methyltransferase PRDM6 (PRDM6) Class V-like SAM-binding methyltransferase superfamily Q9NQX0
Probable E3 ubiquitin-protein ligase DTX2 (DTX2) Deltex family Q86UW9
Maleylacetoacetate isomerase (GSTZ1) Zeta family O43708
Baculoviral IAP repeat-containing protein 7 (BIRC7) IAP family Q96CA5
E3 ubiquitin-protein ligase XIAP (XIAP) IAP family P98170
Ubiquitin thioesterase ZRANB1 (ZRANB1) Peptidase C64 family Q9UGI0
Tyrosine-protein phosphatase non-receptor type 21 (PTPN21) Protein-tyrosine phosphatase family Q16825
TNF receptor-associated factor 2 (TRAF2) TNF receptor-associated factor family Q12933
TNF receptor-associated factor 4 (TRAF4) TNF receptor-associated factor family Q9BUZ4
Dynamin-2 (DNM2) Dynamin/Fzo/YdjA family P50570
Protein-glutamine gamma-glutamyltransferase Z (TGM7) Transglutaminase family Q96PF1
Zinc finger protein RFP (TRIM27) TRIM/RBCC family P14373
E3 ubiquitin-protein ligase LNX (LNX1) . Q8TBB1
Transporter and channel
Click To Hide/Show 4 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Alpha-actinin-2 (ACTN2) Alpha-actinin family P35609
Huntingtin (HTT) Huntingtin family P42858
Leucine zipper putative tumor suppressor 1 (LZTS1) LZTS family Q9Y250
Wolframin (WFS1) . O76024
Transcription factor
Click To Hide/Show 7 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Homeobox protein Hox-A1 (HOXA1) Antp homeobox family P49639
NF-kappa-B inhibitor delta (NFKBID) NF-kappa-B inhibitor family Q8NI38
Transcription factor Sp7 (SP7) Sp1 C2H2-type zinc-finger protein family Q8TDD2
High mobility group protein 20A (HMG20A) . Q9NP66
Transcription factor 12 (TCF12) . Q99081
Transcription factor HES-7 (HES7) . Q9BYE0
Transcriptional adapter 2-alpha (TADA2A) . O75478
Cytokine and receptor
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Protein Red (IK) RED family Q13123
Other
Click To Hide/Show 30 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
B9 domain-containing protein 2 (B9D2) B9D family Q9BPU9
Calcium-binding and coiled-coil domain-containing protein 2 (CALCOCO2) CALCOCO family Q13137
Conserved oligomeric Golgi complex subunit 6 (COG6) COG6 family Q9Y2V7
Enhancer of mRNA-decapping protein 3 (EDC3) EDC3 family Q96F86
Splicing factor ESS-2 homolog (ESS2) ESS2 family Q96DF8
Protein FAM161A (FAM161A) FAM161 family Q3B820
Protein FAM83A (FAM83A) FAM83 family Q86UY5
Progranulin (GRN) Granulin family P28799
Kinesin light chain 3 (KLC3) Kinesin light chain family Q6P597
Leucine zipper putative tumor suppressor 2 (LZTS2) LZTS2 family Q9BRK4
Harmonin-binding protein USHBP1 (USHBP1) MCC family Q8N6Y0
LRP chaperone MESD (MESD) MESD family Q14696
NGFI-A-binding protein 2 (NAB2) NAB family Q15742
Splicing factor 3B subunit 4 (SF3B4) SF3B4 family Q15427
Heat shock protein beta-1 (HSPB1) Small heat shock protein (HSP20) family P04792
Speedy protein E4 (SPDYE4) Speedy/Ringo family A6NLX3
Vasculin (GPBP1) Vasculin family Q86WP2
Vacuolar protein sorting-associated protein 37B (VPS37B) VPS37 family Q9H9H4
TLE family member 5 (TLE5) WD repeat Groucho/TLE family Q08117
EF-hand domain-containing family member C2 (EFHC2) . Q5JST6
Galectin-9B (LGALS9B) . Q3B8N2
Galectin-9C (LGALS9C) . Q6DKI2
Mitochondrial coiled-coil domain protein 1 (MCCD1) . P59942
Nebulette (NEBL) . O76041
PRKCA-binding protein (PICK1) . Q9NRD5
RING finger protein 11 (RNF11) . Q9Y3C5
Shieldin complex subunit 1 (SHLD1) . Q8IYI0
Sprouty-related, EVH1 domain-containing protein 2 (SPRED2) . Q7Z698
Vinexin (SORBS3) . O60504
Zinc finger MYND domain-containing protein 12 (ZMYND12) . Q9H0C1

The Drug(s) Related To This Target

Approved
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
L-glutamine Small molecular drug DB00130

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 Cyclopropenone, Cyclopropeniminium Ion, and Cyclopropenethione as Novel Electrophilic Warheads for Potential Target Discovery of Triple-Negative Breast Cancer. J Med Chem. 2023 Feb 23;66(4):2851-2864. doi: 10.1021/acs.jmedchem.2c01889. Epub 2023 Feb 10.
4 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.
5 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.
6 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.
7 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
8 An Azo Coupling-Based Chemoproteomic Approach to Systematically Profile the Tyrosine Reactivity in the Human Proteome. Anal Chem. 2021 Jul 27;93(29):10334-10342. doi: 10.1021/acs.analchem.1c01935. Epub 2021 Jul 12.
9 Nucleophilic covalent ligand discovery for the cysteine redoxome. Nat Chem Biol. 2023 Nov;19(11):1309-1319. doi: 10.1038/s41589-023-01330-5. Epub 2023 May 29.
Mass spectrometry data entry: PXD039908 , PXD029761
10 Proteome-wide covalent ligand discovery in native biological systems. Nature. 2016 Jun 23;534(7608):570-4. doi: 10.1038/nature18002. Epub 2016 Jun 15.
11 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
12 Reimagining high-throughput profiling of reactive cysteines for cell-based screening of large electrophile libraries. Nat Biotechnol. 2021 May;39(5):630-641. doi: 10.1038/s41587-020-00778-3. Epub 2021 Jan 4.
13 Global profiling of functional histidines in live cells using small-molecule photosensitizer and chemical probe relay labelling. Nat Chem. 2024 Jun 4. doi: 10.1038/s41557-024-01545-6. Online ahead of print.
Mass spectrometry data entry: PXD042377
14 Targeted Proteomic Approaches for Proteome-Wide Characterizations of the AMP-Binding Capacities of Kinases. J Proteome Res. 2022 Aug 5;21(8):2063-2070. doi: 10.1021/acs.jproteome.2c00225. Epub 2022 Jul 12.
15 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
16 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
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 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
19 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
20 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
21 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
22 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
23 Oxidative cyclization reagents reveal tryptophan cation- interactions. Nature. 2024 Mar;627(8004):680-687. doi: 10.1038/s41586-024-07140-6. Epub 2024 Mar 6.
Mass spectrometry data entry: PXD001377 , PXD005252
24 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.
25 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.
26 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.
27 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.
28 Pharmacological Targeting of Vacuolar H(+)-ATPase via Subunit V1G Combats Multidrug-Resistant Cancer. Cell Chem Biol. 2020 Nov 19;27(11):1359-1370.e8. doi: 10.1016/j.chembiol.2020.06.011. Epub 2020 Jul 9.
29 Accelerating multiplexed profiling of protein-ligand interactions: High-throughput plate-based reactive cysteine profiling with minimal input. Cell Chem Biol. 2024 Mar 21;31(3):565-576.e4. doi: 10.1016/j.chembiol.2023.11.015. Epub 2023 Dec 19.
Mass spectrometry data entry: PXD044402
30 Site-specific quantitative cysteine profiling with data-independent acquisition-based mass spectrometry. Methods Enzymol. 2023;679:295-322. doi: 10.1016/bs.mie.2022.07.037. Epub 2022 Sep 7.
Mass spectrometry data entry: PXD027578
31 Rapid Covalent-Probe Discovery by Electrophile-Fragment Screening. J Am Chem Soc. 2019 Jun 5;141(22):8951-8968. doi: 10.1021/jacs.9b02822. Epub 2019 May 22.
32 Physical and Functional Analysis of the Putative Rpn13 Inhibitor RA190. Cell Chem Biol. 2020 Nov 19;27(11):1371-1382.e6. doi: 10.1016/j.chembiol.2020.08.007. Epub 2020 Aug 27.