Details of the Target

General Information of Target

Target ID LDTP04262
Target Name Alanine--tRNA ligase, cytoplasmic (AARS1)
Gene Name AARS1
Gene ID 16
Synonyms
AARS; Alanine--tRNA ligase, cytoplasmic; EC 6.1.1.7; Alanyl-tRNA synthetase; AlaRS; Renal carcinoma antigen NY-REN-42
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MDSTLTASEIRQRFIDFFKRNEHTYVHSSATIPLDDPTLLFANAGMNQFKPIFLNTIDPS
HPMAKLSRAANTQKCIRAGGKHNDLDDVGKDVYHHTFFEMLGSWSFGDYFKELACKMALE
LLTQEFGIPIERLYVTYFGGDEAAGLEADLECKQIWQNLGLDDTKILPGNMKDNFWEMGD
TGPCGPCSEIHYDRIGGRDAAHLVNQDDPNVLEIWNLVFIQYNREADGILKPLPKKSIDT
GMGLERLVSVLQNKMSNYDTDLFVPYFEAIQKGTGARPYTGKVGAEDADGIDMAYRVLAD
HARTITVALADGGRPDNTGRGYVLRRILRRAVRYAHEKLNASRGFFATLVDVVVQSLGDA
FPELKKDPDMVKDIINEEEVQFLKTLSRGRRILDRKIQSLGDSKTIPGDTAWLLYDTYGF
PVDLTGLIAEEKGLVVDMDGFEEERKLAQLKSQGKGAGGEDLIMLDIYAIEELRARGLEV
TDDSPKYNYHLDSSGSYVFENTVATVMALRREKMFVEEVSTGQECGVVLDKTCFYAEQGG
QIYDEGYLVKVDDSSEDKTEFTVKNAQVRGGYVLHIGTIYGDLKVGDQVWLFIDEPRRRP
IMSNHTATHILNFALRSVLGEADQKGSLVAPDRLRFDFTAKGAMSTQQIKKAEEIANEMI
EAAKAVYTQDCPLAAAKAIQGLRAVFDETYPDPVRVVSIGVPVSELLDDPSGPAGSLTSV
EFCGGTHLRNSSHAGAFVIVTEEAIAKGIRRIVAVTGAEAQKALRKAESLKKCLSVMEAK
VKAQTAPNKDVQREIADLGEALATAVIPQWQKDELRETLKSLKKVMDDLDRASKADVQKR
VLEKTKQFIDSNPNQPLVILEMESGASAKALNEALKLFKMHSPQTSAMLFTVDNEAGKIT
CLCQVPQNAANRGLKASEWVQQVSGLMDGKGGGKDVSAQATGKNVGCLQEALQLATSFAQ
LRLGDVKN
Target Bioclass
Enzyme
Family
Class-II aminoacyl-tRNA synthetase family
Subcellular location
Cytoplasm
Function
Catalyzes the attachment of alanine to tRNA(Ala) in a two-step reaction: alanine is first activated by ATP to form Ala-AMP and then transferred to the acceptor end of tRNA(Ala). Also edits incorrectly charged tRNA(Ala) via its editing domain. {|HAMAP-Rule:MF_03133}.
Uniprot ID
P49588
Ensemble ID
ENST00000261772.13
HGNC ID
HGNC:20
ChEMBL ID
CHEMBL3574

Target Site Mutations in Different Cell Lines

Cell line Mutation details Probe for labeling this protein in this cell
AN3CA SNV: p.K396R; p.Q809R DBIA    Probe Info 
CAKI1 SNV: p.E22Ter DBIA    Probe Info 
CCK81 SNV: p.T24M DBIA    Probe Info 
COLO800 SNV: p.T505K DBIA    Probe Info 
HCT15 SNV: p.Y543Ter DBIA    Probe Info 
HEC1 SNV: p.E471K DBIA    Probe Info 
HEC1B SNV: p.E471K .
HT SNV: p.I749F DBIA    Probe Info 
IGROV1 SNV: p.T24M DBIA    Probe Info 
KYSE150 SNV: p.R840Q DBIA    Probe Info 
LS513 SNV: p.R333P DBIA    Probe Info 
NCIH1793 SNV: p.L447V DBIA    Probe Info 
NCIH196 SNV: p.A607V DBIA    Probe Info 
SKMEL24 SNV: p.Q792L DBIA    Probe Info 

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 47 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
A-EBA
 Probe Info  		3.15  LDD0215  [1]
TH211
 Probe Info  		Y279(13.41); Y690(7.75)  LDD0257  [2]
TH216
 Probe Info  		Y279(7.88)  LDD0259  [2]
YN-1
 Probe Info  		100.00  LDD0444  [3]
AZ-9
 Probe Info  		E479(1.49)  LDD2208  [4]
ONAyne
 Probe Info  		K338(0.00); K74(0.00)  LDD0273  [5]
Probe 1
 Probe Info  		Y279(165.47); Y295(17.75); Y690(50.53)  LDD3495  [6]
THZ1-DTB
 Probe Info  		C947(1.04)  LDD0460  [7]
Curcusone 37
 Probe Info  		2.21  LDD0188  [8]
DA-P3
 Probe Info  		16.19  LDD0183  [9]
AHL-Pu-1
 Probe Info  		C773(2.26)  LDD0169  [10]
HHS-482
 Probe Info  		Y279(0.88); Y667(0.68)  LDD0285  [11]
HHS-475
 Probe Info  		Y667(0.59); Y415(0.89); Y418(0.96); Y468(2.86)  LDD0264  [12]
HHS-465
 Probe Info  		Y279(4.44); Y415(2.92)  LDD2237  [13]
DBIA
 Probe Info  		C773(1.02); C901(0.98); C903(0.98); C671(0.89)  LDD0078  [14]
5E-2FA
 Probe Info  		H82(0.00); H881(0.00); H27(0.00); H733(0.00)  LDD2235  [15]
ATP probe
 Probe Info  		K81(0.00); K762(0.00); K625(0.00); K172(0.00)  LDD0199  [16]
N1
 Probe Info  		N.A.  LDD0245  [17]
4-Iodoacetamidophenylacetylene
 Probe Info  		C671(0.00); C773(0.00); C152(0.00); C525(0.00)  LDD0038  [18]
IA-alkyne
 Probe Info  		C671(0.00); C723(0.00)  LDD0032  [19]
IPIAA_L
 Probe Info  		C723(0.00); C671(0.00); C184(0.00)  LDD0031  [20]
Lodoacetamide azide
 Probe Info  		C671(0.00); C773(0.00); C901(0.00); C903(0.00)  LDD0037  [18]
ATP probe
 Probe Info  		N.A.  LDD0035  [21]
BTD
 Probe Info  		N.A.  LDD0004  [22]
JW-RF-010
 Probe Info  		N.A.  LDD0026  [23]
NAIA_4
 Probe Info  		C723(0.00); C947(0.00)  LDD2226  [24]
TFBX
 Probe Info  		C671(0.00); C773(0.00); C903(0.00)  LDD0027  [23]
WYneN
 Probe Info  		C773(0.00); C903(0.00); C671(0.00)  LDD0021  [22]
WYneO
 Probe Info  		C671(0.00); C773(0.00)  LDD0022  [22]
1d-yne
 Probe Info  		N.A.  LDD0356  [25]
Compound 10
 Probe Info  		C671(0.00); C773(0.00)  LDD2216  [26]
Compound 11
 Probe Info  		C671(0.00); C773(0.00)  LDD2213  [26]
ENE
 Probe Info  		N.A.  LDD0006  [22]
IPM
 Probe Info  		C773(0.00); C671(0.00)  LDD0005  [22]
NHS
 Probe Info  		K558(0.00); K625(0.00); K934(0.00)  LDD0010  [22]
PPMS
 Probe Info  		N.A.  LDD0008  [22]
SF
 Probe Info  		K934(0.00); K766(0.00); K876(0.00)  LDD0028  [27]
STPyne
 Probe Info  		N.A.  LDD0009  [22]
VSF
 Probe Info  		N.A.  LDD0007  [22]
Phosphinate-6
 Probe Info  		C75(0.00); C671(0.00); C947(0.00)  LDD0018  [28]
Ox-W18
 Probe Info  		N.A.  LDD2175  [29]
1c-yne
 Probe Info  		K930(0.00); K846(0.00); K272(0.00); K664(0.00)  LDD0228  [25]
Acrolein
 Probe Info  		C671(0.00); C901(0.00); C903(0.00)  LDD0217  [30]
Methacrolein
 Probe Info  		C671(0.00); C901(0.00); C903(0.00)  LDD0218  [30]
W1
 Probe Info  		C903(0.00); C671(0.00); C901(0.00)  LDD0236  [31]
m-APA
 Probe Info  		N.A.  LDD0404  [32]
NAIA_5
 Probe Info  		C75(0.00); C671(0.00); C773(0.00); C947(0.00)  LDD2223  [24]
PAL-AfBPP Probe
Click To Hide/Show 7 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
FFF probe12
 Probe Info  		5.37  LDD0473  [33]
FFF probe13
 Probe Info  		11.11  LDD0475  [33]
STS-2
 Probe Info  		N.A.  LDD0138  [34]
VE-P
 Probe Info  		N.A.  LDD0396  [35]
DA-2
 Probe Info  		N.A.  LDD0070  [36]
KIRA6 AfBP
 Probe Info  		N.A.  LDD0378  [37]
STS-1
 Probe Info  		N.A.  LDD0068  [38]

Competitor(s) Related to This Target

Competitor ID Name Cell line Binding Site(Ratio) Interaction ID Ref
 LDCM0502  1-(Cyanoacetyl)piperidine MDA-MB-231 C75(0.61)  LDD2095  [39]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C75(0.68); C773(1.05); C671(0.69)  LDD2117  [39]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C773(1.34)  LDD2152  [39]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C75(0.49); C773(0.97)  LDD2132  [39]
 LDCM0538  4-(Cyanoacetyl)morpholine MDA-MB-231 C75(0.69); C773(1.23)  LDD2131  [39]
 LDCM0025  4SU-RNA HEK-293T C671(2.78)  LDD0371  [10]
 LDCM0026  4SU-RNA+native RNA HEK-293T C773(2.26)  LDD0169  [10]
 LDCM0214  AC1 HCT 116 C184(0.91); C187(0.91); C533(1.13); C671(1.10)  LDD0531  [14]
 LDCM0215  AC10 HCT 116 C184(0.26); C187(0.26); C533(0.75); C671(0.82)  LDD0532  [14]
 LDCM0216  AC100 HCT 116 C184(1.26); C187(1.26); C533(0.75); C773(1.08)  LDD0533  [14]
 LDCM0217  AC101 HCT 116 C184(0.68); C187(0.68); C533(0.62); C773(1.05)  LDD0534  [14]
 LDCM0218  AC102 HCT 116 C184(0.75); C187(0.75); C533(0.64); C773(1.02)  LDD0535  [14]
 LDCM0219  AC103 HCT 116 C184(0.34); C187(0.34); C533(0.49); C773(1.33)  LDD0536  [14]
 LDCM0220  AC104 HCT 116 C184(0.46); C187(0.46); C533(0.54); C773(1.10)  LDD0537  [14]
 LDCM0221  AC105 HCT 116 C184(0.44); C187(0.44); C533(0.48); C773(1.18)  LDD0538  [14]
 LDCM0222  AC106 HCT 116 C184(0.37); C187(0.37); C533(0.54); C773(1.32)  LDD0539  [14]
 LDCM0223  AC107 HCT 116 C184(0.27); C187(0.27); C533(0.71); C773(1.16)  LDD0540  [14]
 LDCM0224  AC108 HCT 116 C184(1.05); C187(1.05); C533(0.48); C773(0.90)  LDD0541  [14]
 LDCM0225  AC109 HCT 116 C184(0.68); C187(0.68); C533(0.81); C773(0.77)  LDD0542  [14]
 LDCM0226  AC11 HCT 116 C184(0.30); C187(0.30); C533(0.87); C671(0.82)  LDD0543  [14]
 LDCM0227  AC110 HCT 116 C184(1.89); C187(1.89); C533(0.50); C773(0.89)  LDD0544  [14]
 LDCM0228  AC111 HCT 116 C184(0.87); C187(0.87); C533(0.52); C773(0.88)  LDD0545  [14]
 LDCM0229  AC112 HCT 116 C184(0.44); C187(0.44); C533(0.57); C773(1.03)  LDD0546  [14]
 LDCM0230  AC113 HCT 116 C184(1.02); C187(1.02); C533(1.14); C671(1.19)  LDD0547  [14]
 LDCM0231  AC114 HCT 116 C184(0.81); C187(0.81); C533(0.80); C671(0.81)  LDD0548  [14]
 LDCM0232  AC115 HCT 116 C184(0.75); C187(0.75); C533(0.74); C671(0.76)  LDD0549  [14]
 LDCM0233  AC116 HCT 116 C184(0.76); C187(0.76); C533(0.78); C671(0.77)  LDD0550  [14]
 LDCM0234  AC117 HCT 116 C184(1.19); C187(1.19); C533(0.86); C671(0.77)  LDD0551  [14]
 LDCM0235  AC118 HCT 116 C184(0.97); C187(0.97); C533(0.99); C671(0.85)  LDD0552  [14]
 LDCM0236  AC119 HCT 116 C184(0.87); C187(0.87); C533(0.93); C671(0.79)  LDD0553  [14]
 LDCM0237  AC12 HCT 116 C184(0.46); C187(0.46); C533(0.86); C671(0.95)  LDD0554  [14]
 LDCM0238  AC120 HCT 116 C184(0.80); C187(0.80); C533(0.90); C671(0.89)  LDD0555  [14]
 LDCM0239  AC121 HCT 116 C184(0.98); C187(0.98); C533(0.87); C671(0.78)  LDD0556  [14]
 LDCM0240  AC122 HCT 116 C184(1.03); C187(1.03); C533(0.95); C671(0.81)  LDD0557  [14]
 LDCM0241  AC123 HCT 116 C184(0.97); C187(0.97); C533(1.03); C671(0.83)  LDD0558  [14]
 LDCM0242  AC124 HCT 116 C184(1.00); C187(1.00); C533(0.88); C671(0.84)  LDD0559  [14]
 LDCM0243  AC125 HCT 116 C184(0.81); C187(0.81); C533(0.87); C671(0.84)  LDD0560  [14]
 LDCM0244  AC126 HCT 116 C184(0.67); C187(0.67); C533(0.83); C671(0.80)  LDD0561  [14]
 LDCM0245  AC127 HCT 116 C184(0.74); C187(0.74); C533(0.86); C671(0.84)  LDD0562  [14]
 LDCM0246  AC128 HCT 116 C184(0.66); C187(0.66); C533(1.73); C671(0.87)  LDD0563  [14]
 LDCM0247  AC129 HCT 116 C184(1.13); C187(1.13); C533(0.98); C671(1.06)  LDD0564  [14]
 LDCM0249  AC130 HCT 116 C184(0.81); C187(0.81); C533(1.17); C671(0.73)  LDD0566  [14]
 LDCM0250  AC131 HCT 116 C184(1.20); C187(1.20); C533(1.39); C671(2.19)  LDD0567  [14]
 LDCM0251  AC132 HCT 116 C184(1.20); C187(1.20); C533(1.19); C671(1.00)  LDD0568  [14]
 LDCM0252  AC133 HCT 116 C184(0.99); C187(0.99); C533(1.19); C671(1.36)  LDD0569  [14]
 LDCM0253  AC134 HCT 116 C184(0.81); C187(0.81); C533(0.77); C671(0.63)  LDD0570  [14]
 LDCM0254  AC135 HCT 116 C184(0.83); C187(0.83); C533(0.92); C671(0.80)  LDD0571  [14]
 LDCM0255  AC136 HCT 116 C184(0.86); C187(0.86); C533(1.24); C671(0.93)  LDD0572  [14]
 LDCM0256  AC137 HCT 116 C184(1.04); C187(1.04); C533(0.66); C671(1.02)  LDD0573  [14]
 LDCM0257  AC138 HCT 116 C184(0.75); C187(0.75); C533(0.51); C671(0.83)  LDD0574  [14]
 LDCM0258  AC139 HCT 116 C184(0.75); C187(0.75); C533(0.67); C671(1.21)  LDD0575  [14]
 LDCM0259  AC14 HCT 116 C184(0.34); C187(0.34); C533(0.88); C671(0.92)  LDD0576  [14]
 LDCM0260  AC140 HCT 116 C184(0.58); C187(0.58); C533(0.47); C671(0.88)  LDD0577  [14]
 LDCM0261  AC141 HCT 116 C184(0.70); C187(0.70); C533(0.49); C671(0.77)  LDD0578  [14]
 LDCM0262  AC142 HCT 116 C184(1.28); C187(1.28); C533(0.74); C671(1.61)  LDD0579  [14]
 LDCM0263  AC143 HCT 116 C184(1.00); C187(1.00); C533(0.94); C671(0.83)  LDD0580  [14]
 LDCM0264  AC144 HCT 116 C184(0.41); C187(0.41); C671(0.42); C723(0.53)  LDD0581  [14]
 LDCM0265  AC145 HCT 116 C671(0.51); C723(0.65); C184(0.75); C187(0.75)  LDD0582  [14]
 LDCM0266  AC146 HCT 116 C184(0.52); C187(0.52); C723(0.56); C671(0.68)  LDD0583  [14]
 LDCM0267  AC147 HCT 116 C184(0.37); C187(0.37); C723(0.51); C671(0.58)  LDD0584  [14]
 LDCM0268  AC148 HCT 116 C184(0.11); C187(0.11); C723(0.30); C671(0.32)  LDD0585  [14]
 LDCM0269  AC149 HCT 116 C184(0.31); C187(0.31); C671(0.39); C723(0.48)  LDD0586  [14]
 LDCM0270  AC15 HCT 116 C184(0.38); C187(0.38); C533(0.83); C901(0.90)  LDD0587  [14]
 LDCM0271  AC150 HCT 116 C723(0.76); C533(0.86); C671(0.86); C773(1.15)  LDD0588  [14]
 LDCM0272  AC151 HCT 116 C671(0.64); C903(0.76); C901(0.78); C533(0.85)  LDD0589  [14]
 LDCM0273  AC152 HCT 116 C184(0.35); C187(0.35); C671(0.42); C723(0.46)  LDD0590  [14]
 LDCM0274  AC153 HCT 116 C184(0.09); C187(0.09); C723(0.28); C671(0.30)  LDD0591  [14]
 LDCM0621  AC154 HCT 116 C184(0.42); C187(0.42); C533(0.67); C671(0.41)  LDD2158  [14]
 LDCM0622  AC155 HCT 116 C184(0.52); C187(0.52); C533(0.72); C671(0.50)  LDD2159  [14]
 LDCM0623  AC156 HCT 116 C184(0.80); C187(0.80); C533(0.81); C671(0.75)  LDD2160  [14]
 LDCM0624  AC157 HCT 116 C184(1.19); C187(1.19); C533(0.84); C671(0.66)  LDD2161  [14]
 LDCM0276  AC17 HCT 116 C901(0.77); C903(0.77); C533(0.89); C773(1.16)  LDD0593  [14]
 LDCM0277  AC18 HCT 116 C901(0.61); C903(0.61); C671(0.82); C533(0.86)  LDD0594  [14]
 LDCM0278  AC19 HCT 116 C901(0.77); C903(0.77); C671(0.80); C533(0.82)  LDD0595  [14]
 LDCM0279  AC2 HCT 116 C184(0.77); C187(0.77); C671(0.81); C903(0.94)  LDD0596  [14]
 LDCM0280  AC20 HCT 116 C901(0.79); C903(0.79); C671(0.81); C533(0.82)  LDD0597  [14]
 LDCM0281  AC21 HCT 116 C901(0.69); C903(0.69); C671(0.95); C533(0.97)  LDD0598  [14]
 LDCM0282  AC22 HCT 116 C901(0.84); C903(0.84); C533(0.95); C671(1.10)  LDD0599  [14]
 LDCM0283  AC23 HCT 116 C671(0.46); C533(0.62); C901(0.72); C903(0.72)  LDD0600  [14]
 LDCM0284  AC24 HCT 116 C533(0.90); C773(1.03); C671(1.06); C901(1.07)  LDD0601  [14]
 LDCM0285  AC25 HCT 116 C901(0.77); C903(0.77); C671(0.89); C533(0.94)  LDD0602  [14]
 LDCM0286  AC26 HCT 116 C901(0.61); C903(0.61); C533(0.64); C671(0.77)  LDD0603  [14]
 LDCM0287  AC27 HCT 116 C533(0.63); C901(0.68); C903(0.68); C671(0.76)  LDD0604  [14]
 LDCM0288  AC28 HCT 116 C901(0.63); C903(0.63); C533(0.66); C671(0.69)  LDD0605  [14]
 LDCM0289  AC29 HCT 116 C901(0.59); C903(0.59); C533(0.61); C671(0.74)  LDD0606  [14]
 LDCM0290  AC3 HCT 116 C671(0.78); C184(0.93); C187(0.93); C903(1.07)  LDD0607  [14]
 LDCM0291  AC30 HCT 116 C533(0.59); C901(0.60); C903(0.60); C671(0.66)  LDD0608  [14]
 LDCM0292  AC31 HCT 116 C901(0.58); C903(0.58); C533(0.67); C671(0.76)  LDD0609  [14]
 LDCM0293  AC32 HCT 116 C533(0.48); C671(0.59); C901(0.61); C903(0.61)  LDD0610  [14]
 LDCM0294  AC33 HCT 116 C901(0.59); C903(0.59); C533(0.63); C671(0.69)  LDD0611  [14]
 LDCM0295  AC34 HCT 116 C901(0.53); C903(0.53); C533(0.62); C671(0.66)  LDD0612  [14]
 LDCM0296  AC35 HCT 116 C773(0.88); C723(1.09); C671(1.22); C901(1.50)  LDD0613  [14]
 LDCM0297  AC36 HCT 116 C773(0.91); C723(1.02); C533(1.24); C901(1.28)  LDD0614  [14]
 LDCM0298  AC37 HCT 116 C773(0.91); C723(0.92); C671(1.11); C901(1.29)  LDD0615  [14]
 LDCM0299  AC38 HCT 116 C773(0.90); C723(1.08); C533(1.08); C901(1.18)  LDD0616  [14]
 LDCM0300  AC39 HCT 116 C723(0.82); C671(0.94); C901(0.94); C903(0.94)  LDD0617  [14]
 LDCM0301  AC4 HCT 116 C671(0.71); C903(0.83); C184(0.85); C187(0.85)  LDD0618  [14]
 LDCM0302  AC40 HCT 116 C184(0.58); C187(0.58); C901(0.76); C903(0.76)  LDD0619  [14]
 LDCM0303  AC41 HCT 116 C671(0.93); C723(0.95); C901(1.04); C903(1.04)  LDD0620  [14]
 LDCM0304  AC42 HCT 116 C723(0.80); C184(0.82); C187(0.82); C671(0.82)  LDD0621  [14]
 LDCM0305  AC43 HCT 116 C184(0.91); C187(0.91); C723(0.99); C773(1.06)  LDD0622  [14]
 LDCM0306  AC44 HCT 116 C671(0.79); C184(0.79); C187(0.79); C723(0.81)  LDD0623  [14]
 LDCM0307  AC45 HCT 116 C184(0.46); C187(0.46); C723(0.69); C901(0.86)  LDD0624  [14]
 LDCM0308  AC46 HCT 116 C671(0.86); C901(1.04); C903(1.04); C533(1.07)  LDD0625  [14]
 LDCM0309  AC47 HCT 116 C533(0.89); C901(1.04); C903(1.04); C723(1.08)  LDD0626  [14]
 LDCM0310  AC48 HCT 116 C533(0.86); C671(0.94); C773(1.27); C901(1.44)  LDD0627  [14]
 LDCM0311  AC49 HCT 116 C723(0.58); C901(0.58); C903(0.58); C671(0.79)  LDD0628  [14]
 LDCM0312  AC5 HCT 116 C184(0.65); C187(0.65); C671(0.69); C903(0.90)  LDD0629  [14]
 LDCM0313  AC50 HCT 116 C723(0.58); C901(0.66); C903(0.66); C671(0.71)  LDD0630  [14]
 LDCM0314  AC51 HCT 116 C671(0.80); C773(1.07); C533(1.34); C901(1.43)  LDD0631  [14]
 LDCM0315  AC52 HCT 116 C671(0.93); C723(0.94); C901(0.94); C903(0.94)  LDD0632  [14]
 LDCM0316  AC53 HCT 116 C723(0.73); C901(0.81); C903(0.81); C671(0.92)  LDD0633  [14]
 LDCM0317  AC54 HCT 116 C723(0.68); C901(0.82); C903(0.82); C671(0.95)  LDD0634  [14]
 LDCM0318  AC55 HCT 116 C723(0.60); C901(0.62); C903(0.62); C533(0.65)  LDD0635  [14]
 LDCM0319  AC56 HCT 116 C723(0.46); C901(0.51); C903(0.51); C533(0.62)  LDD0636  [14]
 LDCM0320  AC57 HCT 116 C184(0.35); C187(0.35); C533(0.57); C671(0.69)  LDD0637  [14]
 LDCM0321  AC58 HCT 116 C184(0.28); C187(0.28); C533(0.56); C671(0.70)  LDD0638  [14]
 LDCM0322  AC59 HCT 116 C184(0.26); C187(0.26); C533(0.44); C671(0.47)  LDD0639  [14]
 LDCM0323  AC6 HCT 116 C184(0.29); C187(0.29); C533(0.68); C901(0.82)  LDD0640  [14]
 LDCM0324  AC60 HCT 116 C184(0.39); C187(0.39); C533(0.65); C671(0.65)  LDD0641  [14]
 LDCM0325  AC61 HCT 116 C184(0.46); C187(0.46); C901(0.99); C903(0.99)  LDD0642  [14]
 LDCM0326  AC62 HCT 116 C184(0.16); C187(0.16); C533(0.40); C671(0.48)  LDD0643  [14]
 LDCM0327  AC63 HCT 116 C184(0.40); C187(0.40); C901(0.55); C903(0.55)  LDD0644  [14]
 LDCM0328  AC64 HCT 116 C184(0.20); C187(0.20); C533(0.41); C671(0.49)  LDD0645  [14]
 LDCM0329  AC65 HCT 116 C184(0.29); C187(0.29); C533(0.53); C671(0.54)  LDD0646  [14]
 LDCM0330  AC66 HCT 116 C184(0.37); C187(0.37); C533(0.63); C671(0.68)  LDD0647  [14]
 LDCM0331  AC67 HCT 116 C184(0.07); C187(0.07); C533(0.26); C671(0.31)  LDD0648  [14]
 LDCM0332  AC68 HCT 116 C184(0.78); C187(0.78); C533(0.86); C671(0.94)  LDD0649  [14]
 LDCM0333  AC69 HCT 116 C184(0.80); C187(0.80); C533(0.86); C671(0.99)  LDD0650  [14]
 LDCM0334  AC7 HCT 116 C184(0.29); C187(0.29); C533(0.79); C901(0.88)  LDD0651  [14]
 LDCM0335  AC70 HCT 116 C184(0.59); C187(0.59); C533(0.71); C671(0.86)  LDD0652  [14]
 LDCM0336  AC71 HCT 116 C533(1.01); C184(1.08); C187(1.08); C773(1.09)  LDD0653  [14]
 LDCM0337  AC72 HCT 116 C533(0.81); C184(0.84); C187(0.84); C903(0.98)  LDD0654  [14]
 LDCM0338  AC73 HCT 116 C184(0.35); C187(0.35); C533(0.56); C671(0.77)  LDD0655  [14]
 LDCM0339  AC74 HCT 116 C184(0.36); C187(0.36); C533(0.68); C671(0.79)  LDD0656  [14]
 LDCM0340  AC75 HCT 116 C184(0.43); C187(0.43); C533(0.70); C671(0.82)  LDD0657  [14]
 LDCM0341  AC76 HCT 116 C533(0.69); C184(0.83); C187(0.83); C903(0.87)  LDD0658  [14]
 LDCM0342  AC77 HCT 116 C533(0.66); C184(0.68); C187(0.68); C671(0.80)  LDD0659  [14]
 LDCM0343  AC78 HCT 116 C184(0.99); C187(0.99); C903(1.00); C901(1.03)  LDD0660  [14]
 LDCM0344  AC79 HCT 116 C184(0.72); C187(0.72); C533(0.87); C903(1.07)  LDD0661  [14]
 LDCM0345  AC8 HCT 116 C184(0.30); C187(0.30); C533(0.73); C901(0.82)  LDD0662  [14]
 LDCM0346  AC80 HCT 116 C184(0.67); C187(0.67); C533(0.73); C671(0.92)  LDD0663  [14]
 LDCM0347  AC81 HCT 116 C533(0.81); C184(0.86); C187(0.86); C903(1.02)  LDD0664  [14]
 LDCM0348  AC82 HCT 116 C184(0.40); C187(0.40); C533(0.58); C671(0.66)  LDD0665  [14]
 LDCM0349  AC83 HCT 116 C901(0.33); C903(0.33); C533(0.53); C184(0.61)  LDD0666  [14]
 LDCM0350  AC84 HCT 116 C901(0.46); C903(0.46); C533(0.57); C184(0.68)  LDD0667  [14]
 LDCM0351  AC85 HCT 116 C901(0.65); C903(0.65); C184(0.68); C187(0.68)  LDD0668  [14]
 LDCM0352  AC86 HCT 116 C533(0.68); C901(0.73); C903(0.73); C184(0.77)  LDD0669  [14]
 LDCM0353  AC87 HCT 116 C184(0.73); C187(0.73); C901(0.81); C903(0.81)  LDD0670  [14]
 LDCM0354  AC88 HCT 116 C901(0.66); C903(0.66); C533(0.75); C184(0.78)  LDD0671  [14]
 LDCM0355  AC89 HCT 116 C533(0.60); C901(0.62); C903(0.62); C184(0.67)  LDD0672  [14]
 LDCM0357  AC90 HCT 116 C184(0.95); C187(0.95); C533(1.01); C773(1.06)  LDD0674  [14]
 LDCM0358  AC91 HCT 116 C533(0.53); C901(0.55); C903(0.55); C184(0.75)  LDD0675  [14]
 LDCM0359  AC92 HCT 116 C901(0.46); C903(0.46); C533(0.49); C184(0.64)  LDD0676  [14]
 LDCM0360  AC93 HCT 116 C533(0.70); C901(0.73); C903(0.73); C184(0.86)  LDD0677  [14]
 LDCM0361  AC94 HCT 116 C184(0.85); C187(0.85); C901(0.87); C903(0.87)  LDD0678  [14]
 LDCM0362  AC95 HCT 116 C184(1.09); C187(1.09); C901(1.10); C903(1.10)  LDD0679  [14]
 LDCM0363  AC96 HCT 116 C533(0.69); C901(0.82); C903(0.82); C184(0.89)  LDD0680  [14]
 LDCM0364  AC97 HCT 116 C901(0.54); C903(0.54); C533(0.55); C184(0.90)  LDD0681  [14]
 LDCM0365  AC98 HCT 116 C184(0.05); C187(0.05); C533(0.34); C901(0.49)  LDD0682  [14]
 LDCM0366  AC99 HCT 116 C533(0.72); C901(0.76); C903(0.76); C773(1.11)  LDD0683  [14]
 LDCM0545  Acetamide MDA-MB-231 C773(0.61)  LDD2138  [39]
 LDCM0248  AKOS034007472 HCT 116 C184(0.44); C187(0.44); C533(0.90); C671(0.99)  LDD0565  [14]
 LDCM0356  AKOS034007680 HCT 116 C184(0.42); C187(0.42); C533(0.80); C671(0.91)  LDD0673  [14]
 LDCM0275  AKOS034007705 HCT 116 C184(0.09); C187(0.09); C533(0.60); C901(0.62)  LDD0592  [14]
 LDCM0156  Aniline NCI-H1299 N.A.  LDD0404  [32]
 LDCM0020  ARS-1620 HCC44 C773(1.02); C901(0.98); C903(0.98); C671(0.89)  LDD0078  [14]
 LDCM0498  BS-3668 MDA-MB-231 C773(0.79)  LDD2091  [39]
 LDCM0108  Chloroacetamide HeLa C671(0.00); C901(0.00); C525(0.00); C773(0.00)  LDD0222  [30]
 LDCM0632  CL-Sc Hep-G2 C773(20.00); C671(0.91); C773(0.86)  LDD2227  [24]
 LDCM0367  CL1 HCT 116 C773(0.82); C901(0.88); C903(0.88); C671(0.93)  LDD0684  [14]
 LDCM0368  CL10 HCT 116 C184(0.29); C187(0.29); C671(0.57); C533(0.74)  LDD0685  [14]
 LDCM0369  CL100 HCT 116 C671(0.75); C184(0.79); C187(0.79); C903(0.79)  LDD0686  [14]
 LDCM0370  CL101 HCT 116 C184(0.26); C187(0.26); C533(0.70); C671(0.81)  LDD0687  [14]
 LDCM0371  CL102 HCT 116 C184(0.51); C187(0.51); C533(0.84); C671(0.89)  LDD0688  [14]
 LDCM0372  CL103 HCT 116 C184(0.53); C187(0.53); C533(0.82); C671(0.96)  LDD0689  [14]
 LDCM0373  CL104 HCT 116 C184(0.41); C187(0.41); C533(0.94); C671(1.02)  LDD0690  [14]
 LDCM0374  CL105 HCT 116 C901(0.64); C903(0.64); C533(0.84); C671(0.97)  LDD0691  [14]
 LDCM0375  CL106 HCT 116 C901(0.53); C903(0.53); C533(0.79); C671(0.85)  LDD0692  [14]
 LDCM0376  CL107 HCT 116 C901(0.57); C903(0.57); C533(0.77); C671(0.87)  LDD0693  [14]
 LDCM0377  CL108 HCT 116 C901(0.41); C903(0.41); C533(0.57); C671(0.67)  LDD0694  [14]
 LDCM0378  CL109 HCT 116 C901(0.70); C903(0.70); C533(0.79); C671(0.87)  LDD0695  [14]
 LDCM0379  CL11 HCT 116 C184(0.22); C187(0.22); C671(0.51); C533(0.62)  LDD0696  [14]
 LDCM0380  CL110 HCT 116 C533(0.49); C671(0.54); C901(0.67); C903(0.67)  LDD0697  [14]
 LDCM0381  CL111 HCT 116 C671(0.64); C533(0.68); C901(0.76); C903(0.76)  LDD0698  [14]
 LDCM0382  CL112 HCT 116 C533(0.76); C901(0.77); C903(0.77); C671(0.84)  LDD0699  [14]
 LDCM0383  CL113 HCT 116 C533(0.54); C901(0.57); C903(0.57); C671(0.64)  LDD0700  [14]
 LDCM0384  CL114 HCT 116 C533(0.58); C901(0.63); C903(0.63); C671(0.77)  LDD0701  [14]
 LDCM0385  CL115 HCT 116 C901(0.56); C903(0.56); C533(0.57); C671(0.73)  LDD0702  [14]
 LDCM0386  CL116 HCT 116 C533(0.67); C901(0.68); C903(0.68); C671(0.80)  LDD0703  [14]
 LDCM0387  CL117 HCT 116 C184(0.23); C187(0.23); C723(0.47); C901(0.57)  LDD0704  [14]
 LDCM0388  CL118 HCT 116 C184(0.71); C187(0.71); C723(0.79); C901(0.99)  LDD0705  [14]
 LDCM0389  CL119 HCT 116 C723(0.77); C901(0.94); C903(0.94); C671(0.97)  LDD0706  [14]
 LDCM0390  CL12 HCT 116 C184(0.19); C187(0.19); C533(0.52); C671(0.71)  LDD0707  [14]
 LDCM0391  CL120 HCT 116 C723(0.92); C184(1.02); C187(1.02); C671(1.02)  LDD0708  [14]
 LDCM0392  CL121 HCT 116 C723(0.55); C533(0.77); C773(0.98); C671(1.05)  LDD0709  [14]
 LDCM0393  CL122 HCT 116 C533(0.77); C901(0.92); C903(0.92); C671(0.95)  LDD0710  [14]
 LDCM0394  CL123 HCT 116 C901(0.65); C903(0.65); C671(0.72); C723(0.77)  LDD0711  [14]
 LDCM0395  CL124 HCT 116 C901(0.62); C903(0.62); C723(0.71); C533(0.76)  LDD0712  [14]
 LDCM0396  CL125 HCT 116 C901(0.86); C903(0.86); C184(0.87); C187(0.87)  LDD0713  [14]
 LDCM0397  CL126 HCT 116 C671(0.61); C533(0.78); C901(0.88); C903(0.88)  LDD0714  [14]
 LDCM0398  CL127 HCT 116 C184(0.58); C187(0.58); C533(0.74); C671(0.79)  LDD0715  [14]
 LDCM0399  CL128 HCT 116 C184(0.32); C187(0.32); C533(0.41); C671(0.53)  LDD0716  [14]
 LDCM0400  CL13 HCT 116 C184(0.38); C187(0.38); C533(0.91); C671(0.92)  LDD0717  [14]
 LDCM0401  CL14 HCT 116 C773(0.95); C533(0.95); C671(1.00); C184(1.05)  LDD0718  [14]
 LDCM0402  CL15 HCT 116 C184(0.54); C187(0.54); C533(0.67); C671(0.77)  LDD0719  [14]
 LDCM0403  CL16 HCT 116 C184(0.61); C187(0.61); C671(0.95); C773(0.96)  LDD0720  [14]
 LDCM0404  CL17 HCT 116 C184(0.93); C187(0.93); C773(1.09); C671(1.18)  LDD0721  [14]
 LDCM0405  CL18 HCT 116 C184(0.97); C187(0.97); C773(1.00); C901(2.07)  LDD0722  [14]
 LDCM0406  CL19 HCT 116 C184(0.74); C187(0.74); C671(0.97); C773(1.01)  LDD0723  [14]
 LDCM0407  CL2 HCT 116 C773(0.89); C184(1.05); C187(1.05); C901(1.10)  LDD0724  [14]
 LDCM0408  CL20 HCT 116 C184(0.42); C187(0.42); C901(0.67); C903(0.67)  LDD0725  [14]
 LDCM0409  CL21 HCT 116 C184(0.25); C187(0.25); C671(0.43); C901(0.52)  LDD0726  [14]
 LDCM0410  CL22 HCT 116 C184(0.11); C187(0.11); C901(0.30); C903(0.30)  LDD0727  [14]
 LDCM0411  CL23 HCT 116 C184(0.55); C187(0.55); C671(0.83); C901(1.04)  LDD0728  [14]
 LDCM0412  CL24 HCT 116 C184(0.25); C187(0.25); C901(0.46); C903(0.46)  LDD0729  [14]
 LDCM0413  CL25 HCT 116 C184(0.30); C187(0.30); C671(0.49); C773(1.42)  LDD0730  [14]
 LDCM0414  CL26 HCT 116 C184(0.63); C187(0.63); C671(0.74); C773(1.11)  LDD0731  [14]
 LDCM0415  CL27 HCT 116 C184(0.60); C187(0.60); C671(0.73); C773(1.06)  LDD0732  [14]
 LDCM0416  CL28 HCT 116 C184(0.47); C187(0.47); C671(0.53); C773(1.21)  LDD0733  [14]
 LDCM0417  CL29 HCT 116 C184(0.35); C187(0.35); C671(0.61); C773(1.09)  LDD0734  [14]
 LDCM0418  CL3 HCT 116 C184(1.11); C187(1.11); C533(1.40); C671(1.40)  LDD0735  [14]
 LDCM0419  CL30 HCT 116 C184(0.61); C187(0.61); C671(0.80); C773(0.94)  LDD0736  [14]
 LDCM0420  CL31 HCT 116 C184(0.90); C187(0.90); C533(0.77); C671(0.52)  LDD0737  [14]
 LDCM0421  CL32 HCT 116 C184(0.85); C187(0.85); C533(1.21); C671(1.12)  LDD0738  [14]
 LDCM0422  CL33 HCT 116 C184(0.93); C187(0.93); C533(0.84); C671(0.69)  LDD0739  [14]
 LDCM0423  CL34 HCT 116 C184(0.37); C187(0.37); C533(0.62); C671(0.67)  LDD0740  [14]
 LDCM0424  CL35 HCT 116 C184(0.40); C187(0.40); C533(0.68); C671(0.78)  LDD0741  [14]
 LDCM0425  CL36 HCT 116 C184(0.52); C187(0.52); C533(0.88); C671(0.71)  LDD0742  [14]
 LDCM0426  CL37 HCT 116 C184(0.38); C187(0.38); C533(0.65); C671(0.61)  LDD0743  [14]
 LDCM0428  CL39 HCT 116 C184(0.36); C187(0.36); C533(0.68); C671(0.58)  LDD0745  [14]
 LDCM0429  CL4 HCT 116 C184(0.73); C187(0.73); C533(1.02); C671(0.89)  LDD0746  [14]
 LDCM0430  CL40 HCT 116 C184(0.57); C187(0.57); C533(0.58); C671(0.57)  LDD0747  [14]
 LDCM0431  CL41 HCT 116 C184(0.67); C187(0.67); C533(0.83); C671(0.74)  LDD0748  [14]
 LDCM0432  CL42 HCT 116 C184(0.15); C187(0.15); C533(0.56); C671(0.57)  LDD0749  [14]
 LDCM0433  CL43 HCT 116 C184(0.25); C187(0.25); C533(0.67); C671(0.68)  LDD0750  [14]
 LDCM0434  CL44 HCT 116 C184(0.74); C187(0.74); C533(0.74); C671(0.79)  LDD0751  [14]
 LDCM0435  CL45 HCT 116 C184(0.33); C187(0.33); C533(0.61); C671(0.71)  LDD0752  [14]
 LDCM0436  CL46 HCT 116 C184(2.30); C187(2.30); C533(1.33); C671(1.28)  LDD0753  [14]
 LDCM0437  CL47 HCT 116 C184(2.21); C187(2.21); C533(1.21); C671(1.33)  LDD0754  [14]
 LDCM0438  CL48 HCT 116 C184(2.01); C187(2.01); C533(1.32); C671(1.26)  LDD0755  [14]
 LDCM0439  CL49 HCT 116 C184(1.25); C187(1.25); C533(0.96); C671(1.16)  LDD0756  [14]
 LDCM0440  CL5 HCT 116 C184(0.71); C187(0.71); C533(1.04); C671(0.93)  LDD0757  [14]
 LDCM0441  CL50 HCT 116 C184(1.62); C187(1.62); C533(1.10); C671(1.09)  LDD0758  [14]
 LDCM0442  CL51 HCT 116 C184(1.78); C187(1.78); C533(1.16); C671(1.14)  LDD0759  [14]
 LDCM0443  CL52 HCT 116 C184(1.65); C187(1.65); C533(1.11); C671(1.01)  LDD0760  [14]
 LDCM0444  CL53 HCT 116 C184(1.70); C187(1.70); C533(1.11); C671(1.21)  LDD0761  [14]
 LDCM0445  CL54 HCT 116 C184(2.00); C187(2.00); C533(1.08); C671(1.14)  LDD0762  [14]
 LDCM0446  CL55 HCT 116 C184(1.95); C187(1.95); C533(1.15); C671(1.18)  LDD0763  [14]
 LDCM0447  CL56 HCT 116 C184(1.14); C187(1.14); C533(0.92); C671(0.95)  LDD0764  [14]
 LDCM0448  CL57 HCT 116 C184(1.81); C187(1.81); C533(0.97); C671(0.97)  LDD0765  [14]
 LDCM0449  CL58 HCT 116 C184(2.26); C187(2.26); C533(1.19); C671(1.21)  LDD0766  [14]
 LDCM0450  CL59 HCT 116 C184(1.37); C187(1.37); C533(0.99); C671(1.12)  LDD0767  [14]
 LDCM0451  CL6 HCT 116 C184(0.63); C187(0.63); C533(1.54); C671(1.65)  LDD0768  [14]
 LDCM0452  CL60 HCT 116 C184(1.35); C187(1.35); C533(1.08); C671(1.16)  LDD0769  [14]
 LDCM0453  CL61 HCT 116 C184(0.96); C187(0.96); C533(0.88); C671(0.98)  LDD0770  [14]
 LDCM0454  CL62 HCT 116 C184(0.74); C187(0.74); C533(0.84); C671(0.86)  LDD0771  [14]
 LDCM0455  CL63 HCT 116 C184(0.80); C187(0.80); C533(0.76); C671(0.75)  LDD0772  [14]
 LDCM0456  CL64 HCT 116 C184(0.61); C187(0.61); C533(0.57); C671(0.65)  LDD0773  [14]
 LDCM0457  CL65 HCT 116 C184(0.71); C187(0.71); C533(0.84); C671(0.86)  LDD0774  [14]
 LDCM0458  CL66 HCT 116 C184(0.34); C187(0.34); C533(0.46); C671(0.51)  LDD0775  [14]
 LDCM0459  CL67 HCT 116 C184(0.62); C187(0.62); C533(0.58); C671(0.65)  LDD0776  [14]
 LDCM0460  CL68 HCT 116 C184(0.83); C187(0.83); C533(0.84); C671(0.86)  LDD0777  [14]
 LDCM0461  CL69 HCT 116 C184(1.21); C187(1.21); C533(1.85); C671(1.57)  LDD0778  [14]
 LDCM0462  CL7 HCT 116 C184(0.32); C187(0.32); C533(0.70); C671(0.76)  LDD0779  [14]
 LDCM0463  CL70 HCT 116 C184(0.76); C187(0.76); C533(0.83); C671(0.98)  LDD0780  [14]
 LDCM0464  CL71 HCT 116 C184(0.86); C187(0.86); C533(0.73); C671(0.66)  LDD0781  [14]
 LDCM0465  CL72 HCT 116 C184(1.10); C187(1.10); C533(0.95); C671(0.88)  LDD0782  [14]
 LDCM0466  CL73 HCT 116 C184(0.87); C187(0.87); C533(0.74); C671(0.72)  LDD0783  [14]
 LDCM0467  CL74 HCT 116 C184(0.78); C187(0.78); C533(0.66); C671(0.68)  LDD0784  [14]
 LDCM0469  CL76 HCT 116 C184(0.86); C187(0.86); C533(0.98); C671(1.06)  LDD0786  [14]
 LDCM0470  CL77 HCT 116 C184(0.82); C187(0.82); C533(1.31); C671(0.79)  LDD0787  [14]
 LDCM0471  CL78 HCT 116 C184(0.93); C187(0.93); C533(0.96); C671(0.99)  LDD0788  [14]
 LDCM0472  CL79 HCT 116 C184(0.44); C187(0.44); C533(1.23); C671(0.84)  LDD0789  [14]
 LDCM0473  CL8 HCT 116 C184(0.21); C187(0.21); C533(0.48); C671(0.55)  LDD0790  [14]
 LDCM0474  CL80 HCT 116 C184(0.88); C187(0.88); C533(1.11); C671(1.78)  LDD0791  [14]
 LDCM0475  CL81 HCT 116 C184(0.76); C187(0.76); C533(1.29); C671(1.03)  LDD0792  [14]
 LDCM0476  CL82 HCT 116 C184(0.22); C187(0.22); C533(1.18); C671(0.86)  LDD0793  [14]
 LDCM0477  CL83 HCT 116 C184(0.32); C187(0.32); C533(1.77); C671(0.79)  LDD0794  [14]
 LDCM0478  CL84 HCT 116 C184(0.15); C187(0.15); C533(3.54); C671(0.62)  LDD0795  [14]
 LDCM0479  CL85 HCT 116 C184(0.69); C187(0.69); C533(1.17); C671(1.06)  LDD0796  [14]
 LDCM0480  CL86 HCT 116 C184(1.09); C187(1.09); C533(0.93); C671(1.32)  LDD0797  [14]
 LDCM0481  CL87 HCT 116 C184(0.62); C187(0.62); C533(1.12); C671(0.82)  LDD0798  [14]
 LDCM0482  CL88 HCT 116 C184(0.35); C187(0.35); C533(1.08); C671(0.76)  LDD0799  [14]
 LDCM0483  CL89 HCT 116 C184(0.14); C187(0.14); C533(1.59); C671(0.79)  LDD0800  [14]
 LDCM0484  CL9 HCT 116 C184(0.57); C187(0.57); C533(0.91); C671(0.89)  LDD0801  [14]
 LDCM0485  CL90 HCT 116 C184(1.09); C187(1.09); C533(2.06); C671(1.27)  LDD0802  [14]
 LDCM0486  CL91 HCT 116 C184(0.89); C187(0.89); C533(0.73); C671(0.82)  LDD0803  [14]
 LDCM0487  CL92 HCT 116 C184(0.79); C187(0.79); C533(1.06); C671(0.87)  LDD0804  [14]
 LDCM0488  CL93 HCT 116 C184(0.80); C187(0.80); C533(1.00); C671(0.85)  LDD0805  [14]
 LDCM0489  CL94 HCT 116 C184(0.75); C187(0.75); C533(1.38); C671(0.75)  LDD0806  [14]
 LDCM0490  CL95 HCT 116 C184(0.81); C187(0.81); C533(1.27); C671(0.72)  LDD0807  [14]
 LDCM0491  CL96 HCT 116 C184(0.72); C187(0.72); C533(1.45); C671(0.69)  LDD0808  [14]
 LDCM0492  CL97 HCT 116 C184(0.75); C187(0.75); C533(1.07); C671(0.69)  LDD0809  [14]
 LDCM0493  CL98 HCT 116 C184(0.79); C187(0.79); C533(1.18); C671(0.73)  LDD0810  [14]
 LDCM0494  CL99 HCT 116 C184(0.84); C187(0.84); C533(1.17); C671(0.68)  LDD0811  [14]
 LDCM0033  Curcusone1d MCF-7 2.21  LDD0188  [8]
 LDCM0198  Dimethyl Fumarate(DMF) T cell C773(5.06)  LDD0513  [40]
 LDCM0495  E2913 HEK-293T C773(0.74); C671(1.04); C533(1.02); C152(1.01)  LDD1698  [41]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C903(0.86)  LDD1702  [39]
 LDCM0031  Epigallocatechin gallate HEK-293T 16.19  LDD0183  [9]
 LDCM0625  F8 Ramos C773(1.01); C671(0.63); C947(1.02)  LDD2187  [42]
 LDCM0572  Fragment10 MDA-MB-231 C773(2.07)  LDD1465  [43]
 LDCM0573  Fragment11 MDA-MB-231 C773(0.91)  LDD1467  [43]
 LDCM0574  Fragment12 MDA-MB-231 C773(0.92)  LDD1468  [43]
 LDCM0575  Fragment13 MDA-MB-231 C773(0.83)  LDD1469  [43]
 LDCM0576  Fragment14 MDA-MB-231 C773(0.99)  LDD1471  [43]
 LDCM0579  Fragment20 Ramos C773(1.27); C671(0.75); C947(0.31)  LDD2194  [42]
 LDCM0580  Fragment21 MDA-MB-231 C773(1.05)  LDD1473  [43]
 LDCM0582  Fragment23 Ramos C773(2.34); C671(1.61); C947(0.67)  LDD2196  [42]
 LDCM0578  Fragment27 MDA-MB-231 C773(0.61)  LDD1474  [43]
 LDCM0586  Fragment28 Ramos C773(0.70); C671(1.37); C947(0.75)  LDD2198  [42]
 LDCM0587  Fragment29 Ramos C773(1.07)  LDD1476  [43]
 LDCM0588  Fragment30 Ramos C773(1.98); C671(1.54); C947(0.57)  LDD2199  [42]
 LDCM0589  Fragment31 Ramos C773(1.15)  LDD1478  [43]
 LDCM0590  Fragment32 Ramos C773(1.08); C671(0.95); C947(0.50)  LDD2201  [42]
 LDCM0468  Fragment33 HCT 116 C184(0.65); C187(0.65); C533(0.66); C671(0.64)  LDD0785  [14]
 LDCM0596  Fragment38 MDA-MB-231 C773(0.69)  LDD1480  [43]
 LDCM0566  Fragment4 MDA-MB-231 C773(1.25)  LDD1461  [43]
 LDCM0599  Fragment41 MDA-MB-231 C773(0.73)  LDD1481  [43]
 LDCM0603  Fragment45 MDA-MB-231 C773(10.10)  LDD1482  [43]
 LDCM0427  Fragment51 HCT 116 C184(0.19); C187(0.19); C533(0.45); C671(0.54)  LDD0744  [14]
 LDCM0610  Fragment52 Ramos C773(1.65); C671(2.05); C947(0.68)  LDD2204  [42]
 LDCM0614  Fragment56 Ramos C773(1.84); C671(1.25); C947(0.35)  LDD2205  [42]
 LDCM0569  Fragment7 Ramos C773(2.68); C671(0.72); C947(1.05)  LDD2186  [42]
 LDCM0570  Fragment8 MDA-MB-231 C773(1.54)  LDD1462  [43]
 LDCM0571  Fragment9 MDA-MB-231 C773(1.52)  LDD1463  [43]
 LDCM0116  HHS-0101 DM93 Y667(0.59); Y415(0.89); Y418(0.96); Y468(2.86)  LDD0264  [12]
 LDCM0117  HHS-0201 DM93 Y418(0.33); Y667(0.52); Y415(0.90); Y468(3.45)  LDD0265  [12]
 LDCM0118  HHS-0301 DM93 Y418(0.66); Y415(0.68); Y667(0.99)  LDD0266  [12]
 LDCM0119  HHS-0401 DM93 Y418(0.48); Y667(0.74); Y415(0.84)  LDD0267  [12]
 LDCM0120  HHS-0701 DM93 Y415(0.88); Y418(0.94); Y667(0.97); Y468(4.61)  LDD0268  [12]
 LDCM0107  IAA HeLa C184(0.00); C901(0.00); C671(0.00); C525(0.00)  LDD0221  [30]
 LDCM0123  JWB131 DM93 Y279(0.88); Y667(0.68)  LDD0285  [11]
 LDCM0124  JWB142 DM93 Y279(0.50); Y667(0.30)  LDD0286  [11]
 LDCM0125  JWB146 DM93 Y279(1.05); Y667(0.43)  LDD0287  [11]
 LDCM0126  JWB150 DM93 Y279(1.72); Y667(0.78)  LDD0288  [11]
 LDCM0127  JWB152 DM93 Y279(2.14); Y667(1.16)  LDD0289  [11]
 LDCM0128  JWB198 DM93 Y279(0.59); Y667(0.27)  LDD0290  [11]
 LDCM0129  JWB202 DM93 Y279(0.73); Y667(0.44)  LDD0291  [11]
 LDCM0130  JWB211 DM93 Y279(0.76); Y667(0.36)  LDD0292  [11]
 LDCM0022  KB02 HCT 116 C773(3.48); C901(2.99); C903(2.99); C671(1.62)  LDD0080  [14]
 LDCM0023  KB03 HCT 116 C773(1.22); C901(3.39); C903(3.39); C671(3.45)  LDD0081  [14]
 LDCM0024  KB05 HCT 116 C773(2.98); C901(2.73); C903(2.73); C671(1.20)  LDD0082  [14]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C75(0.33); C773(1.09); C671(0.64)  LDD2121  [39]
 LDCM0109  NEM HeLa C671(0.00); H82(0.00)  LDD0223  [30]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C75(0.46); C773(0.91); C671(0.71)  LDD2089  [39]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C773(0.75)  LDD2092  [39]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C75(0.75); C773(1.04)  LDD2093  [39]
 LDCM0501  Nucleophilic fragment 13b MDA-MB-231 C773(1.22)  LDD2094  [39]
 LDCM0503  Nucleophilic fragment 14b MDA-MB-231 C75(0.30); C773(1.31)  LDD2096  [39]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C75(0.33); C773(1.34)  LDD2098  [39]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C75(0.56); C773(0.98); C671(1.07)  LDD2099  [39]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C773(0.85); C671(0.72)  LDD2100  [39]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C773(0.73)  LDD2104  [39]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C773(1.42)  LDD2105  [39]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C75(0.81); C773(1.09); C671(0.86)  LDD2107  [39]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C773(0.64)  LDD2108  [39]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C75(0.89); C773(0.77); C671(0.95)  LDD2109  [39]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C773(1.02); C671(0.83)  LDD2111  [39]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C773(0.87)  LDD2114  [39]
 LDCM0523  Nucleophilic fragment 24b MDA-MB-231 C75(0.64); C773(1.47)  LDD2116  [39]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C75(0.45); C773(1.87)  LDD2118  [39]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C773(1.61)  LDD2119  [39]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C75(0.98); C901(0.98); C903(0.87)  LDD2120  [39]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C75(0.40); C773(2.02)  LDD2122  [39]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C671(0.88)  LDD2123  [39]
 LDCM0531  Nucleophilic fragment 28b MDA-MB-231 C773(1.50)  LDD2124  [39]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C75(0.55); C671(0.89)  LDD2125  [39]
 LDCM0533  Nucleophilic fragment 29b MDA-MB-231 C75(1.49); C773(1.45)  LDD2126  [39]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C75(0.93); C773(1.02); C671(1.11)  LDD2127  [39]
 LDCM0535  Nucleophilic fragment 30b MDA-MB-231 C75(0.65); C773(0.84)  LDD2128  [39]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C75(0.41); C773(1.02)  LDD2129  [39]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C75(0.58); C773(1.11); C671(1.37)  LDD2135  [39]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C75(0.86); C671(1.03)  LDD2136  [39]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C773(0.96); C671(0.74)  LDD2137  [39]
 LDCM0211  Nucleophilic fragment 3b MDA-MB-231 C773(1.55)  LDD1700  [39]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C75(0.80); C671(0.90)  LDD2140  [39]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C773(0.80)  LDD2141  [39]
 LDCM0549  Nucleophilic fragment 43 MDA-MB-231 C75(0.95); C903(1.14)  LDD2143  [39]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C773(1.73); C671(1.86)  LDD2144  [39]
 LDCM0551  Nucleophilic fragment 5b MDA-MB-231 C671(0.73)  LDD2145  [39]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C773(1.16)  LDD2146  [39]
 LDCM0553  Nucleophilic fragment 6b MDA-MB-231 C903(2.97)  LDD2147  [39]
 LDCM0555  Nucleophilic fragment 7b MDA-MB-231 C75(0.45); C773(2.19)  LDD2149  [39]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C773(0.61); C671(0.49)  LDD2150  [39]
 LDCM0557  Nucleophilic fragment 8b MDA-MB-231 C75(0.36)  LDD2151  [39]
 LDCM0627  NUDT7-COV-1 HEK-293T C671(15.00); C773(1.10)  LDD2206  [44]
 LDCM0628  OTUB2-COV-1 HEK-293T C773(0.69)  LDD2207  [44]
 LDCM0131  RA190 MM1.R C773(1.11)  LDD0304  [45]
 LDCM0170  Structure8 Ramos 20.00  LDD0433  [46]
 LDCM0021  THZ1 HeLa S3 C947(1.04)  LDD0460  [7]

The Interaction Atlas With This Target

The Drug(s) Related To This Target

Investigative
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Alanine Small molecular drug DB00160

References

1 2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases. J Am Chem Soc. 2023 Feb 12. doi: 10.1021/jacs.2c11595. Online ahead of print.
Mass spectrometry data entry: PXD037665
2 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 2H-Azirine-Based Reagents for Chemoselective Bioconjugation at Carboxyl Residues Inside Live Cells. J Am Chem Soc. 2020 Apr 1;142(13):6051-6059. doi: 10.1021/jacs.9b12116. Epub 2020 Mar 23.
5 A Paal-Knorr agent for chemoproteomic profiling of targets of isoketals in cells. Chem Sci. 2021 Oct 15;12(43):14557-14563. doi: 10.1039/d1sc02230j. eCollection 2021 Nov 10.
Mass spectrometry data entry: PXD028270
6 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.
7 A Chemoproteomic Strategy for Direct and Proteome-Wide Covalent Inhibitor Target-Site Identification. J Am Chem Soc. 2019 Jan 9;141(1):191-203. doi: 10.1021/jacs.8b07911. Epub 2018 Dec 20.
8 Total Synthesis and Target Identification of the Curcusone Diterpenes. J Am Chem Soc. 2021 Mar 24;143(11):4379-4386. doi: 10.1021/jacs.1c00557. Epub 2021 Mar 11.
9 A chemical probe unravels the reactive proteome of health-associated catechols. Chem Sci. 2023 Jul 22;14(32):8635-8643. doi: 10.1039/d3sc00888f. eCollection 2023 Aug 16.
Mass spectrometry data entry: PXD043348
10 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
11 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.
12 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.
13 Global targeting of functional tyrosines using sulfur-triazole exchange chemistry. Nat Chem Biol. 2020 Feb;16(2):150-159. doi: 10.1038/s41589-019-0404-5. Epub 2019 Nov 25.
14 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.
15 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
16 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.
17 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.
18 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
19 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
20 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
21 Comparison of Quantitative Mass Spectrometry Platforms for Monitoring Kinase ATP Probe Uptake in Lung Cancer. J Proteome Res. 2018 Jan 5;17(1):63-75. doi: 10.1021/acs.jproteome.7b00329. Epub 2017 Nov 22.
Mass spectrometry data entry: PXD006095 , PXD006096
22 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
23 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
24 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
25 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.
26 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
27 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
28 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
29 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
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