Details of the Target

General Information of Target

Target ID LDTP03947
Target Name Isoleucine--tRNA ligase, cytoplasmic (IARS1)
Gene Name IARS1
Gene ID 3376
Synonyms
IARS; Isoleucine--tRNA ligase, cytoplasmic; EC 6.1.1.5; Isoleucyl-tRNA synthetase; IRS; IleRS
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MLQQVPENINFPAEEEKILEFWTEFNCFQECLKQSKHKPKFTFYDGPPFATGLPHYGHIL
AGTIKDIVTRYAHQSGFHVDRRFGWDCHGLPVEYEIDKTLGIRGPEDVAKMGITEYNNQC
RAIVMRYSAEWKSTVSRLGRWIDFDNDYKTLYPQFMESVWWVFKQLYDKGLVYRGVKVMP
FSTACNTPLSNFESHQNYKDVQDPSVFVTFPLEEDETVSLVAWTTTPWTLPSNLAVCVNP
EMQYVKIKDVARGRLLILMEARLSALYKLESDYEILERFPGAYLKGKKYRPLFDYFLKCK
ENGAFTVLVDNYVKEEEGTGVVHQAPYFGAEDYRVCMDFNIIRKDSLPVCPVDASGCFTT
EVTDFAGQYVKDADKSIIRTLKEQGRLLVATTFTHSYPFCWRSDTPLIYKAVPSWFVRVE
NMVDQLLRNNDLCYWVPELVREKRFGNWLKDARDWTISRNRYWGTPIPLWVSDDFEEVVC
IGSVAELEELSGAKISDLHRESVDHLTIPSRCGKGSLHRISEVFDCWFESGSMPYAQVHY
PFENKREFEDAFPADFIAEGIDQTRGWFYTLLVLATALFGQPPFKNVIVNGLVLASDGQK
MSKRKKNYPDPVSIIQKYGADALRLYLINSPVVRAENLRFKEEGVRDVLKDVLLPWYNAY
RFLIQNVLRLQKEEEIEFLYNENTVRESPNITDRWILSFMQSLIGFFETEMAAYRLYTVV
PRLVKFVDILTNWYVRMNRRRLKGENGMEDCVMALETLFSVLLSLCRLMAPYTPFLTELM
YQNLKVLIDPVSVQDKDTLSIHYLMLPRVREELIDKKTESAVSQMQSVIELGRVIRDRKT
IPIKYPLKEIVVIHQDPEALKDIKSLEKYIIEELNVRKVTLSTDKNKYGIRLRAEPDHMV
LGKRLKGAFKAVMTSIKQLSSEELEQFQKTGTIVVEGHELHDEDIRLMYTFDQATGGTAQ
FEAHSDAQALVLLDVTPDQSMVDEGMAREVINRIQKLRKKCNLVPTDEITVYYKAKSEGT
YLNSVIESHTEFIFTTIKAPLKPYPVSPSDKVLIQEKTQLKGSELEITLTRGSSLPGPAC
AYVNLNICANGSEQGGVLLLENPKGDNRLDLLKLKSVVTSIFGVKNTELAVFHDETEIQN
QTDLLSLSGKTLCVTAGSAPSLINSSSTLLCQYINLQLLNAKPQECLMGTVGTLLLENPL
GQNGLTHQGLLYEAAKVFGLRSRKLKLFLNETQTQEITEDIPVKTLNMKTVYVSVLPTTA
DF
Target Type
Literature-reported
Target Bioclass
Enzyme
Family
Class-I aminoacyl-tRNA synthetase family
Subcellular location
Cytoplasm
Function
Catalyzes the specific attachment of an amino acid to its cognate tRNA in a 2 step reaction: the amino acid (AA) is first activated by ATP to form AA-AMP and then transferred to the acceptor end of the tRNA.
TTD ID
T46515
Uniprot ID
P41252
DrugMap ID
TTYD3AN
Ensemble ID
ENST00000375643.7
HGNC ID
HGNC:5330
ChEMBL ID
CHEMBL3235

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 45 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
m-APA
 Probe Info  		10.89  LDD0402  [1]
A-EBA
 Probe Info  		3.15  LDD0215  [2]
11RK72
 Probe Info  		2.52  LDD0327  [3]
11RK73
 Probe Info  		2.71  LDD0328  [3]
CY-1
 Probe Info  		100.00  LDD0243  [4]
N1
 Probe Info  		100.00  LDD0242  [4]
TH211
 Probe Info  		Y327(20.00); Y618(20.00); Y845(20.00); Y626(19.61)  LDD0257  [5]
TH214
 Probe Info  		Y608(15.52); Y94(7.83)  LDD0258  [5]
TH216
 Probe Info  		Y434(20.00); Y626(20.00); Y608(17.36)  LDD0259  [5]
ONAyne
 Probe Info  		N.A.  LDD0273  [6]
OPA-S-S-alkyne
 Probe Info  		K375(1.66); K903(1.66); K132(1.68); K641(1.71)  LDD3494  [7]
Probe 1
 Probe Info  		Y127(34.93); Y267(94.73); Y273(14.63); Y283(34.68)  LDD3495  [8]
THZ1-DTB
 Probe Info  		C400(1.13); C87(1.07); C357(1.00); C433(0.97)  LDD0460  [9]
BTD
 Probe Info  		C120(0.64)  LDD2091  [10]
AHL-Pu-1
 Probe Info  		C87(3.14); C433(3.75)  LDD0168  [11]
HHS-482
 Probe Info  		Y845(1.53)  LDD0285  [12]
HHS-475
 Probe Info  		Y127(0.55); Y845(0.70); Y608(0.73)  LDD0264  [13]
HHS-465
 Probe Info  		Y127(4.32); Y845(10.00)  LDD2237  [14]
DBIA
 Probe Info  		C87(0.97)  LDD0078  [15]
ATP probe
 Probe Info  		K600(0.00); K603(0.00); K917(0.00); K910(0.00)  LDD0199  [16]
4-Iodoacetamidophenylacetylene
 Probe Info  		C299(0.00); C1001(0.00); C87(0.00); C526(0.00)  LDD0038  [17]
IA-alkyne
 Probe Info  		C185(0.00); C350(0.00); C120(0.00); C336(0.00)  LDD0032  [18]
IPIAA_H
 Probe Info  		C433(0.00); C185(0.00); C87(0.00)  LDD0030  [19]
IPIAA_L
 Probe Info  		C433(0.00); C526(0.00); C1001(0.00); C87(0.00)  LDD0031  [19]
Lodoacetamide azide
 Probe Info  		C299(0.00); C1001(0.00); C87(0.00); C27(0.00)  LDD0037  [17]
ATP probe
 Probe Info  		N.A.  LDD0035  [20]
JW-RF-010
 Probe Info  		C120(0.00); C1001(0.00)  LDD0026  [21]
NAIA_4
 Probe Info  		C357(0.00); C350(0.00); C87(0.00); C120(0.00)  LDD2226  [22]
TFBX
 Probe Info  		C120(0.00); C1001(0.00)  LDD0027  [21]
WYneN
 Probe Info  		C433(0.00); C120(0.00)  LDD0021  [23]
WYneO
 Probe Info  		N.A.  LDD0022  [23]
Compound 10
 Probe Info  		N.A.  LDD2216  [24]
ENE
 Probe Info  		N.A.  LDD0006  [23]
IPM
 Probe Info  		C120(0.00); C87(0.00); C433(0.00)  LDD0005  [23]
NHS
 Probe Info  		K1051(0.00); K132(0.00); K606(0.00); K1057(0.00)  LDD0010  [23]
SF
 Probe Info  		Y845(0.00); Y608(0.00); K1051(0.00); Y717(0.00)  LDD0028  [25]
STPyne
 Probe Info  		N.A.  LDD0009  [23]
1c-yne
 Probe Info  		K177(0.00); K672(0.00); K868(0.00); K268(0.00)  LDD0228  [26]
1d-yne
 Probe Info  		N.A.  LDD0357  [26]
Acrolein
 Probe Info  		C433(0.00); C185(0.00); C336(0.00); C350(0.00)  LDD0217  [27]
Crotonaldehyde
 Probe Info  		C120(0.00); H499(0.00); C433(0.00)  LDD0219  [27]
Methacrolein
 Probe Info  		C120(0.00); C433(0.00)  LDD0218  [27]
W1
 Probe Info  		C433(0.00); C120(0.00); C336(0.00); C87(0.00)  LDD0236  [28]
AOyne
 Probe Info  		6.40  LDD0443  [29]
NAIA_5
 Probe Info  		C512(0.00); C87(0.00); C526(0.00); C1001(0.00)  LDD2223  [22]
PAL-AfBPP Probe
Click To Hide/Show 5 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
FFF probe13
 Probe Info  		8.92  LDD0475  [30]
FFF probe3
 Probe Info  		5.15  LDD0464  [30]
STS-2
 Probe Info  		N.A.  LDD0138  [31]
DA-2
 Probe Info  		N.A.  LDD0071  [32]
STS-1
 Probe Info  		N.A.  LDD0068  [33]

Competitor(s) Related to This Target

Competitor ID Name Cell line Binding Site(Ratio) Interaction ID Ref
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C120(1.57)  LDD2117  [10]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C120(1.37)  LDD2152  [10]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C512(0.41)  LDD2132  [10]
 LDCM0025  4SU-RNA HEK-293T C87(3.14); C433(3.75)  LDD0168  [11]
 LDCM0026  4SU-RNA+native RNA HEK-293T C87(2.01); C433(2.57)  LDD0169  [11]
 LDCM0214  AC1 HCT 116 C87(1.28); C526(1.26); C120(1.01); C1001(1.35)  LDD0531  [15]
 LDCM0215  AC10 HCT 116 C87(1.26); C526(1.00); C120(1.02); C1001(0.94)  LDD0532  [15]
 LDCM0216  AC100 HCT 116 C87(1.05); C120(1.27); C1001(0.85); C1080(0.68)  LDD0533  [15]
 LDCM0217  AC101 HCT 116 C87(0.98); C120(1.19); C1001(0.78); C1080(0.83)  LDD0534  [15]
 LDCM0218  AC102 HCT 116 C87(1.07); C120(1.20); C1001(0.64); C1080(0.67)  LDD0535  [15]
 LDCM0219  AC103 HCT 116 C87(1.27); C120(1.56); C1001(0.78); C1080(0.83)  LDD0536  [15]
 LDCM0220  AC104 HCT 116 C87(1.20); C120(1.32); C1001(0.57); C1080(0.68)  LDD0537  [15]
 LDCM0221  AC105 HCT 116 C87(1.26); C120(1.33); C1001(0.68); C1080(0.68)  LDD0538  [15]
 LDCM0222  AC106 HCT 116 C87(1.31); C120(1.59); C1001(0.75); C1080(0.61)  LDD0539  [15]
 LDCM0223  AC107 HCT 116 C87(1.34); C120(0.85); C1001(0.92); C1080(0.94)  LDD0540  [15]
 LDCM0224  AC108 HCT 116 C87(1.05); C120(1.01); C1001(0.85); C1080(0.84)  LDD0541  [15]
 LDCM0225  AC109 HCT 116 C87(0.87); C120(0.72); C1001(0.60); C1080(0.62)  LDD0542  [15]
 LDCM0226  AC11 HCT 116 C87(1.26); C526(1.28); C120(1.05); C1001(1.12)  LDD0543  [15]
 LDCM0227  AC110 HCT 116 C87(1.05); C120(1.07); C1001(0.87); C1080(0.77)  LDD0544  [15]
 LDCM0228  AC111 HCT 116 C87(1.06); C120(1.14); C1001(0.61); C1080(0.74)  LDD0545  [15]
 LDCM0229  AC112 HCT 116 C87(1.13); C120(0.97); C1001(0.63); C1080(0.71)  LDD0546  [15]
 LDCM0230  AC113 HCT 116 C87(0.87); C526(0.82); C120(1.01); C1001(0.94)  LDD0547  [15]
 LDCM0231  AC114 HCT 116 C87(1.15); C526(1.46); C120(1.16); C1001(0.82)  LDD0548  [15]
 LDCM0232  AC115 HCT 116 C87(1.28); C526(2.04); C120(1.30); C1001(0.76)  LDD0549  [15]
 LDCM0233  AC116 HCT 116 C87(1.29); C526(1.35); C120(1.29); C1001(0.76)  LDD0550  [15]
 LDCM0234  AC117 HCT 116 C87(1.15); C526(1.25); C120(1.19); C1001(0.77)  LDD0551  [15]
 LDCM0235  AC118 HCT 116 C87(1.13); C526(0.67); C120(1.16); C1001(0.95)  LDD0552  [15]
 LDCM0236  AC119 HCT 116 C87(1.13); C526(0.73); C120(1.24); C1001(0.82)  LDD0553  [15]
 LDCM0237  AC12 HCT 116 C87(0.96); C526(1.02); C120(0.86); C1001(1.20)  LDD0554  [15]
 LDCM0238  AC120 HCT 116 C87(1.07); C526(1.54); C120(1.26); C1001(0.86)  LDD0555  [15]
 LDCM0239  AC121 HCT 116 C87(1.11); C526(0.52); C120(1.16); C1001(0.88)  LDD0556  [15]
 LDCM0240  AC122 HCT 116 C87(1.07); C526(0.63); C120(1.21); C1001(0.91)  LDD0557  [15]
 LDCM0241  AC123 HCT 116 C87(1.17); C526(0.70); C120(1.08); C1001(0.98)  LDD0558  [15]
 LDCM0242  AC124 HCT 116 C87(1.06); C526(0.69); C120(1.05); C1001(0.83)  LDD0559  [15]
 LDCM0243  AC125 HCT 116 C87(1.16); C526(1.21); C120(1.16); C1001(1.01)  LDD0560  [15]
 LDCM0244  AC126 HCT 116 C87(1.20); C526(1.41); C120(1.35); C1001(0.82)  LDD0561  [15]
 LDCM0245  AC127 HCT 116 C87(1.29); C526(1.50); C120(1.40); C1001(0.82)  LDD0562  [15]
 LDCM0246  AC128 HCT 116 C87(1.45); C526(1.26); C120(1.43); C1001(1.11)  LDD0563  [15]
 LDCM0247  AC129 HCT 116 C87(0.78); C526(0.40); C120(1.12); C1001(1.39)  LDD0564  [15]
 LDCM0249  AC130 HCT 116 C87(1.09); C526(0.81); C120(1.21); C1001(1.03)  LDD0566  [15]
 LDCM0250  AC131 HCT 116 C87(0.97); C526(0.87); C120(0.99); C1001(1.14)  LDD0567  [15]
 LDCM0251  AC132 HCT 116 C87(1.00); C526(0.45); C120(1.14); C1001(0.97)  LDD0568  [15]
 LDCM0252  AC133 HCT 116 C87(1.22); C526(0.56); C120(1.41); C1001(1.04)  LDD0569  [15]
 LDCM0253  AC134 HCT 116 C87(1.18); C526(0.62); C120(1.30); C1001(0.88)  LDD0570  [15]
 LDCM0254  AC135 HCT 116 C87(1.12); C526(0.92); C120(1.13); C1001(0.96)  LDD0571  [15]
 LDCM0255  AC136 HCT 116 C87(1.02); C526(0.81); C120(1.19); C1001(0.88)  LDD0572  [15]
 LDCM0256  AC137 HCT 116 C87(1.14); C526(0.40); C120(1.09); C1001(1.03)  LDD0573  [15]
 LDCM0257  AC138 HCT 116 C87(1.09); C526(0.74); C120(1.09); C1001(0.85)  LDD0574  [15]
 LDCM0258  AC139 HCT 116 C87(1.04); C526(0.69); C120(1.34); C1001(0.88)  LDD0575  [15]
 LDCM0259  AC14 HCT 116 C87(1.41); C526(0.77); C120(1.01); C1001(1.24)  LDD0576  [15]
 LDCM0260  AC140 HCT 116 C87(1.16); C526(0.84); C120(1.19); C1001(0.82)  LDD0577  [15]
 LDCM0261  AC141 HCT 116 C87(1.09); C526(0.71); C120(1.06); C1001(0.88)  LDD0578  [15]
 LDCM0262  AC142 HCT 116 C87(0.88); C526(0.32); C120(1.31); C1001(1.18)  LDD0579  [15]
 LDCM0263  AC143 HCT 116 C87(1.02); C120(0.99); C1001(0.78); C1080(0.81)  LDD0580  [15]
 LDCM0264  AC144 HCT 116 C350(0.28); C357(0.28); C336(0.82); C1080(1.05)  LDD0581  [15]
 LDCM0265  AC145 HCT 116 C1001(0.88); C350(0.93); C357(0.93); C1080(0.94)  LDD0582  [15]
 LDCM0266  AC146 HCT 116 C350(0.40); C357(0.40); C1080(0.86); C1088(0.86)  LDD0583  [15]
 LDCM0267  AC147 HCT 116 C350(0.33); C357(0.33); C336(0.72); C1001(0.82)  LDD0584  [15]
 LDCM0268  AC148 HCT 116 C350(0.23); C357(0.23); C433(1.15); C1080(1.17)  LDD0585  [15]
 LDCM0269  AC149 HCT 116 C350(0.27); C357(0.27); C1080(0.77); C1088(0.77)  LDD0586  [15]
 LDCM0270  AC15 HCT 116 C350(0.48); C357(0.48); C1080(0.68); C1088(0.68)  LDD0587  [15]
 LDCM0271  AC150 HCT 116 C350(0.57); C357(0.57); C1080(0.78); C1088(0.78)  LDD0588  [15]
 LDCM0272  AC151 HCT 116 C350(0.55); C357(0.55); C1080(0.83); C1088(0.83)  LDD0589  [15]
 LDCM0273  AC152 HCT 116 C350(0.31); C357(0.31); C1080(1.02); C1088(1.02)  LDD0590  [15]
 LDCM0274  AC153 HCT 116 C350(0.23); C357(0.23); C336(0.99); C433(1.12)  LDD0591  [15]
 LDCM0621  AC154 HCT 116 C87(1.02); C120(1.29); C1001(0.93); C1080(0.91)  LDD2158  [15]
 LDCM0622  AC155 HCT 116 C87(0.95); C120(1.47); C1001(1.15); C1080(0.83)  LDD2159  [15]
 LDCM0623  AC156 HCT 116 C87(0.77); C120(1.13); C1001(0.99); C1080(0.86)  LDD2160  [15]
 LDCM0624  AC157 HCT 116 C87(0.74); C120(0.80); C1001(1.05); C1080(1.70)  LDD2161  [15]
 LDCM0276  AC17 HCT 116 C350(0.66); C357(0.66); C87(0.75); C1001(0.81)  LDD0593  [15]
 LDCM0277  AC18 HCT 116 C350(0.46); C357(0.46); C1001(0.59); C400(0.60)  LDD0594  [15]
 LDCM0278  AC19 HCT 116 C1001(0.72); C350(0.76); C357(0.76); C120(0.93)  LDD0595  [15]
 LDCM0279  AC2 HCT 116 C1080(0.78); C1088(0.78); C350(0.86); C357(0.86)  LDD0596  [15]
 LDCM0280  AC20 HCT 116 C350(0.74); C357(0.74); C1001(0.75); C87(0.87)  LDD0597  [15]
 LDCM0281  AC21 HCT 116 C350(0.57); C357(0.57); C1001(0.81); C433(0.87)  LDD0598  [15]
 LDCM0282  AC22 HCT 116 C350(0.69); C357(0.69); C120(0.90); C1001(0.91)  LDD0599  [15]
 LDCM0283  AC23 HCT 116 C350(0.75); C357(0.75); C87(0.81); C120(0.84)  LDD0600  [15]
 LDCM0284  AC24 HCT 116 C120(0.53); C1001(0.78); C87(0.80); C433(0.96)  LDD0601  [15]
 LDCM0285  AC25 HCT 116 C1001(0.73); C400(0.84); C336(0.96); C526(1.24)  LDD0602  [15]
 LDCM0286  AC26 HCT 116 C1001(0.71); C336(0.84); C400(0.97); C433(1.24)  LDD0603  [15]
 LDCM0287  AC27 HCT 116 C1001(0.63); C336(0.83); C400(0.93); C526(1.06)  LDD0604  [15]
 LDCM0288  AC28 HCT 116 C1001(0.56); C336(0.83); C400(0.97); C433(1.05)  LDD0605  [15]
 LDCM0289  AC29 HCT 116 C1001(0.58); C336(0.76); C400(1.06); C526(1.09)  LDD0606  [15]
 LDCM0290  AC3 HCT 116 C120(0.62); C1080(0.73); C1088(0.73); C350(0.84)  LDD0607  [15]
 LDCM0291  AC30 HCT 116 C1001(0.55); C336(0.73); C400(1.02); C433(1.12)  LDD0608  [15]
 LDCM0292  AC31 HCT 116 C1001(0.63); C336(0.86); C400(1.07); C433(1.46)  LDD0609  [15]
 LDCM0293  AC32 HCT 116 C1001(0.55); C336(0.62); C400(0.85); C433(1.27)  LDD0610  [15]
 LDCM0294  AC33 HCT 116 C1001(0.63); C336(0.77); C400(0.92); C433(1.36)  LDD0611  [15]
 LDCM0295  AC34 HCT 116 C1001(0.58); C336(0.60); C400(0.96); C433(1.23)  LDD0612  [15]
 LDCM0296  AC35 HCT 116 C400(0.85); C336(1.09); C350(1.13); C357(1.13)  LDD0613  [15]
 LDCM0297  AC36 HCT 116 C350(0.49); C357(0.49); C1080(0.79); C1088(0.79)  LDD0614  [15]
 LDCM0298  AC37 HCT 116 C120(1.12); C1001(1.17); C400(1.17); C336(1.21)  LDD0615  [15]
 LDCM0299  AC38 HCT 116 C1080(0.83); C1088(0.83); C120(0.91); C433(1.18)  LDD0616  [15]
 LDCM0300  AC39 HCT 116 C350(0.65); C357(0.65); C1080(0.68); C1088(0.68)  LDD0617  [15]
 LDCM0301  AC4 HCT 116 C120(0.49); C350(0.54); C357(0.54); C1080(0.76)  LDD0618  [15]
 LDCM0302  AC40 HCT 116 C350(0.54); C357(0.54); C336(0.80); C1080(0.86)  LDD0619  [15]
 LDCM0303  AC41 HCT 116 C350(0.57); C357(0.57); C1080(0.88); C1088(0.88)  LDD0620  [15]
 LDCM0304  AC42 HCT 116 C350(0.45); C357(0.45); C1080(0.77); C1088(0.77)  LDD0621  [15]
 LDCM0305  AC43 HCT 116 C350(0.58); C357(0.58); C1080(0.67); C1088(0.67)  LDD0622  [15]
 LDCM0306  AC44 HCT 116 C350(0.64); C357(0.64); C336(0.84); C400(0.84)  LDD0623  [15]
 LDCM0307  AC45 HCT 116 C350(0.67); C357(0.67); C336(0.73); C400(0.79)  LDD0624  [15]
 LDCM0308  AC46 HCT 116 C120(0.54); C87(0.82); C1001(0.82); C433(0.95)  LDD0625  [15]
 LDCM0309  AC47 HCT 116 C120(0.60); C400(0.85); C87(0.88); C336(0.91)  LDD0626  [15]
 LDCM0310  AC48 HCT 116 C120(0.58); C87(0.93); C1080(0.96); C1088(0.96)  LDD0627  [15]
 LDCM0311  AC49 HCT 116 C120(0.53); C336(0.73); C400(0.87); C433(0.94)  LDD0628  [15]
 LDCM0312  AC5 HCT 116 C350(0.53); C357(0.53); C120(0.55); C1080(0.65)  LDD0629  [15]
 LDCM0313  AC50 HCT 116 C120(0.53); C336(0.74); C400(0.78); C1001(0.82)  LDD0630  [15]
 LDCM0314  AC51 HCT 116 C120(0.48); C87(0.71); C1001(0.91); C1080(1.07)  LDD0631  [15]
 LDCM0315  AC52 HCT 116 C120(0.63); C433(0.78); C1001(0.82); C336(0.94)  LDD0632  [15]
 LDCM0316  AC53 HCT 116 C433(0.82); C336(0.84); C120(0.88); C1001(0.93)  LDD0633  [15]
 LDCM0317  AC54 HCT 116 C120(0.63); C336(0.77); C1001(0.79); C433(0.86)  LDD0634  [15]
 LDCM0318  AC55 HCT 116 C336(0.76); C400(0.85); C433(0.93); C1001(1.00)  LDD0635  [15]
 LDCM0319  AC56 HCT 116 C336(0.55); C400(0.58); C433(0.64); C120(0.79)  LDD0636  [15]
 LDCM0320  AC57 HCT 116 C350(0.48); C357(0.48); C1080(0.66); C1088(0.66)  LDD0637  [15]
 LDCM0321  AC58 HCT 116 C350(0.44); C357(0.44); C336(0.73); C1001(0.81)  LDD0638  [15]
 LDCM0322  AC59 HCT 116 C350(0.31); C357(0.31); C1080(0.67); C1088(0.67)  LDD0639  [15]
 LDCM0323  AC6 HCT 116 C350(0.59); C357(0.59); C1080(0.75); C1088(0.75)  LDD0640  [15]
 LDCM0324  AC60 HCT 116 C350(0.50); C357(0.50); C1080(0.74); C1088(0.74)  LDD0641  [15]
 LDCM0325  AC61 HCT 116 C27(0.72); C31(0.72); C1080(0.75); C1088(0.75)  LDD0642  [15]
 LDCM0326  AC62 HCT 116 C350(0.31); C357(0.31); C27(0.69); C31(0.69)  LDD0643  [15]
 LDCM0327  AC63 HCT 116 C350(0.49); C357(0.49); C1080(0.73); C1088(0.73)  LDD0644  [15]
 LDCM0328  AC64 HCT 116 C350(0.36); C357(0.36); C1080(0.73); C1088(0.73)  LDD0645  [15]
 LDCM0329  AC65 HCT 116 C350(0.42); C357(0.42); C1080(0.61); C1088(0.61)  LDD0646  [15]
 LDCM0330  AC66 HCT 116 C1080(0.66); C1088(0.66); C350(0.67); C357(0.67)  LDD0647  [15]
 LDCM0331  AC67 HCT 116 C350(0.28); C357(0.28); C1080(0.57); C1088(0.57)  LDD0648  [15]
 LDCM0332  AC68 HCT 116 C400(0.80); C336(0.89); C1001(0.91); C433(1.09)  LDD0649  [15]
 LDCM0333  AC69 HCT 116 C400(0.70); C336(0.75); C1001(0.93); C433(1.04)  LDD0650  [15]
 LDCM0334  AC7 HCT 116 C350(0.62); C357(0.62); C1080(0.68); C1088(0.68)  LDD0651  [15]
 LDCM0335  AC70 HCT 116 C336(0.63); C1001(0.75); C400(0.95); C433(0.99)  LDD0652  [15]
 LDCM0336  AC71 HCT 116 C87(0.82); C526(0.94); C400(0.98); C336(0.98)  LDD0653  [15]
 LDCM0337  AC72 HCT 116 C400(0.71); C336(0.72); C1001(0.80); C433(0.85)  LDD0654  [15]
 LDCM0338  AC73 HCT 116 C336(0.63); C400(0.83); C1001(0.95); C433(1.15)  LDD0655  [15]
 LDCM0339  AC74 HCT 116 C336(0.68); C433(1.03); C87(1.08); C1001(1.19)  LDD0656  [15]
 LDCM0340  AC75 HCT 116 C336(0.60); C400(0.65); C433(1.02); C1001(1.03)  LDD0657  [15]
 LDCM0341  AC76 HCT 116 C336(0.67); C400(0.85); C1001(1.09); C87(1.35)  LDD0658  [15]
 LDCM0342  AC77 HCT 116 C336(0.64); C400(0.71); C1001(0.81); C87(1.19)  LDD0659  [15]
 LDCM0343  AC78 HCT 116 C400(0.86); C336(0.98); C526(0.98); C1001(1.02)  LDD0660  [15]
 LDCM0344  AC79 HCT 116 C400(0.76); C336(0.77); C1001(0.86); C433(0.99)  LDD0661  [15]
 LDCM0345  AC8 HCT 116 C350(0.54); C357(0.54); C1080(0.75); C1088(0.75)  LDD0662  [15]
 LDCM0346  AC80 HCT 116 C336(0.68); C433(1.11); C400(1.16); C120(1.21)  LDD0663  [15]
 LDCM0347  AC81 HCT 116 C400(0.76); C526(0.77); C433(0.79); C1001(0.97)  LDD0664  [15]
 LDCM0348  AC82 HCT 116 C336(0.37); C433(0.88); C400(0.92); C1001(1.15)  LDD0665  [15]
 LDCM0349  AC83 HCT 116 C350(0.31); C357(0.31); C336(0.62); C1001(0.78)  LDD0666  [15]
 LDCM0350  AC84 HCT 116 C350(0.46); C357(0.46); C336(0.62); C1001(0.67)  LDD0667  [15]
 LDCM0351  AC85 HCT 116 C350(0.54); C357(0.54); C1001(0.71); C336(0.72)  LDD0668  [15]
 LDCM0352  AC86 HCT 116 C350(0.47); C357(0.47); C336(0.66); C1080(0.72)  LDD0669  [15]
 LDCM0353  AC87 HCT 116 C433(0.75); C1001(0.84); C87(0.84); C120(0.87)  LDD0670  [15]
 LDCM0354  AC88 HCT 116 C350(0.65); C357(0.65); C336(0.65); C433(0.77)  LDD0671  [15]
 LDCM0355  AC89 HCT 116 C350(0.39); C357(0.39); C336(0.60); C1001(0.70)  LDD0672  [15]
 LDCM0357  AC90 HCT 116 C336(0.84); C433(0.96); C1080(1.01); C1088(1.01)  LDD0674  [15]
 LDCM0358  AC91 HCT 116 C350(0.29); C357(0.29); C336(0.57); C1001(0.91)  LDD0675  [15]
 LDCM0359  AC92 HCT 116 C350(0.34); C357(0.34); C336(0.60); C1001(0.62)  LDD0676  [15]
 LDCM0360  AC93 HCT 116 C350(0.51); C357(0.51); C336(0.65); C1001(0.68)  LDD0677  [15]
 LDCM0361  AC94 HCT 116 C87(0.69); C350(0.70); C357(0.70); C336(0.80)  LDD0678  [15]
 LDCM0362  AC95 HCT 116 C87(0.78); C120(0.98); C336(1.07); C1001(1.26)  LDD0679  [15]
 LDCM0363  AC96 HCT 116 C350(0.53); C357(0.53); C336(0.64); C87(0.69)  LDD0680  [15]
 LDCM0364  AC97 HCT 116 C350(0.37); C357(0.37); C336(0.55); C87(0.81)  LDD0681  [15]
 LDCM0365  AC98 HCT 116 C350(0.11); C357(0.11); C336(0.38); C1080(0.66)  LDD0682  [15]
 LDCM0366  AC99 HCT 116 C350(0.58); C357(0.58); C1080(0.66); C1088(0.66)  LDD0683  [15]
 LDCM0248  AKOS034007472 HCT 116 C87(1.21); C526(0.80); C120(0.83); C1001(1.08)  LDD0565  [15]
 LDCM0356  AKOS034007680 HCT 116 C350(0.62); C357(0.62); C1080(0.74); C1088(0.74)  LDD0673  [15]
 LDCM0275  AKOS034007705 HCT 116 C350(0.27); C357(0.27); C400(0.65); C336(0.67)  LDD0592  [15]
 LDCM0156  Aniline NCI-H1299 C185(0.00); C1088(0.00)  LDD0404  [1]
 LDCM0020  ARS-1620 HCC44 C87(0.97)  LDD0078  [15]
 LDCM0498  BS-3668 MDA-MB-231 C120(0.64)  LDD2091  [10]
 LDCM0630  CCW28-3 231MFP C526(1.14)  LDD2214  [34]
 LDCM0108  Chloroacetamide HeLa C185(0.00); C433(0.00); C87(0.00); C120(0.00)  LDD0222  [27]
 LDCM0632  CL-Sc Hep-G2 C526(20.00); C433(0.97); C87(0.90); C400(0.83)  LDD2227  [22]
 LDCM0367  CL1 HCT 116 C400(0.79); C1080(0.93); C1088(0.93); C87(0.94)  LDD0684  [15]
 LDCM0368  CL10 HCT 116 C350(0.59); C357(0.59); C400(0.82); C1001(0.97)  LDD0685  [15]
 LDCM0369  CL100 HCT 116 C350(0.72); C357(0.72); C1080(0.75); C1088(0.75)  LDD0686  [15]
 LDCM0370  CL101 HCT 116 C350(0.44); C357(0.44); C1080(0.63); C1088(0.63)  LDD0687  [15]
 LDCM0371  CL102 HCT 116 C350(0.71); C357(0.71); C1080(0.71); C1088(0.71)  LDD0688  [15]
 LDCM0372  CL103 HCT 116 C400(0.73); C1080(0.81); C1088(0.81); C120(0.86)  LDD0689  [15]
 LDCM0373  CL104 HCT 116 C350(0.67); C357(0.67); C400(0.83); C1080(0.85)  LDD0690  [15]
 LDCM0374  CL105 HCT 116 C350(0.48); C357(0.48); C1001(0.72); C87(0.77)  LDD0691  [15]
 LDCM0375  CL106 HCT 116 C350(0.37); C357(0.37); C120(0.56); C1001(0.72)  LDD0692  [15]
 LDCM0376  CL107 HCT 116 C350(0.35); C357(0.35); C1001(0.68); C120(0.75)  LDD0693  [15]
 LDCM0377  CL108 HCT 116 C350(0.29); C357(0.29); C120(0.58); C1001(0.67)  LDD0694  [15]
 LDCM0378  CL109 HCT 116 C1001(0.65); C350(0.70); C357(0.70); C120(0.83)  LDD0695  [15]
 LDCM0379  CL11 HCT 116 C350(0.62); C357(0.62); C400(0.62); C336(0.85)  LDD0696  [15]
 LDCM0380  CL110 HCT 116 C350(0.46); C357(0.46); C120(0.56); C1001(0.61)  LDD0697  [15]
 LDCM0381  CL111 HCT 116 C350(0.60); C357(0.60); C120(0.64); C1001(0.69)  LDD0698  [15]
 LDCM0382  CL112 HCT 116 C1001(0.72); C400(0.79); C526(0.86); C336(0.89)  LDD0699  [15]
 LDCM0383  CL113 HCT 116 C1001(0.56); C336(0.62); C400(0.92); C433(1.07)  LDD0700  [15]
 LDCM0384  CL114 HCT 116 C336(0.64); C1001(0.67); C400(0.82); C433(1.01)  LDD0701  [15]
 LDCM0385  CL115 HCT 116 C1001(0.55); C400(0.76); C336(0.79); C433(1.01)  LDD0702  [15]
 LDCM0386  CL116 HCT 116 C1001(0.69); C336(0.91); C400(0.95); C433(1.42)  LDD0703  [15]
 LDCM0387  CL117 HCT 116 C350(0.42); C357(0.42); C336(0.75); C400(0.77)  LDD0704  [15]
 LDCM0388  CL118 HCT 116 C350(0.83); C357(0.83); C1080(0.83); C1088(0.83)  LDD0705  [15]
 LDCM0389  CL119 HCT 116 C350(0.77); C357(0.77); C400(0.89); C1001(0.91)  LDD0706  [15]
 LDCM0390  CL12 HCT 116 C350(0.52); C357(0.52); C400(0.71); C1080(0.89)  LDD0707  [15]
 LDCM0391  CL120 HCT 116 C350(0.62); C357(0.62); C400(0.77); C1080(0.79)  LDD0708  [15]
 LDCM0392  CL121 HCT 116 C1001(0.63); C400(0.66); C336(0.70); C120(0.70)  LDD0709  [15]
 LDCM0393  CL122 HCT 116 C120(0.62); C433(0.86); C1001(0.95); C336(0.95)  LDD0710  [15]
 LDCM0394  CL123 HCT 116 C120(0.51); C336(0.70); C433(0.78); C87(0.91)  LDD0711  [15]
 LDCM0395  CL124 HCT 116 C120(0.71); C336(0.74); C400(0.97); C1001(0.97)  LDD0712  [15]
 LDCM0396  CL125 HCT 116 C1080(0.67); C1088(0.67); C350(0.71); C357(0.71)  LDD0713  [15]
 LDCM0397  CL126 HCT 116 C1080(0.72); C1088(0.72); C1001(0.85); C27(0.86)  LDD0714  [15]
 LDCM0398  CL127 HCT 116 C1080(0.71); C1088(0.71); C350(0.72); C357(0.72)  LDD0715  [15]
 LDCM0399  CL128 HCT 116 C350(0.42); C357(0.42); C1080(0.68); C1088(0.68)  LDD0716  [15]
 LDCM0400  CL13 HCT 116 C350(0.76); C357(0.76); C87(0.92); C1080(1.01)  LDD0717  [15]
 LDCM0401  CL14 HCT 116 C87(0.72); C1080(0.79); C1088(0.79); C350(0.82)  LDD0718  [15]
 LDCM0402  CL15 HCT 116 C400(0.82); C336(0.88); C350(0.88); C357(0.88)  LDD0719  [15]
 LDCM0403  CL16 HCT 116 C350(0.70); C357(0.70); C1001(0.73); C336(0.74)  LDD0720  [15]
 LDCM0404  CL17 HCT 116 C350(0.82); C357(0.82); C1001(0.89); C87(1.01)  LDD0721  [15]
 LDCM0405  CL18 HCT 116 C1001(1.07); C87(1.16); C336(1.25); C120(1.26)  LDD0722  [15]
 LDCM0406  CL19 HCT 116 C350(0.64); C357(0.64); C400(0.87); C336(0.92)  LDD0723  [15]
 LDCM0407  CL2 HCT 116 C400(0.75); C1080(0.95); C1088(0.95); C1001(1.08)  LDD0724  [15]
 LDCM0408  CL20 HCT 116 C350(0.39); C357(0.39); C336(0.75); C1001(0.81)  LDD0725  [15]
 LDCM0409  CL21 HCT 116 C350(0.31); C357(0.31); C336(0.69); C1001(0.86)  LDD0726  [15]
 LDCM0410  CL22 HCT 116 C350(0.24); C357(0.24); C336(0.76); C400(0.78)  LDD0727  [15]
 LDCM0411  CL23 HCT 116 C350(0.44); C357(0.44); C336(0.85); C1001(0.86)  LDD0728  [15]
 LDCM0412  CL24 HCT 116 C350(0.34); C357(0.34); C336(0.67); C433(0.94)  LDD0729  [15]
 LDCM0413  CL25 HCT 116 C87(0.97); C120(1.44); C1001(1.07); C1080(0.99)  LDD0730  [15]
 LDCM0414  CL26 HCT 116 C87(0.92); C120(1.39); C1001(0.86); C1080(1.16)  LDD0731  [15]
 LDCM0415  CL27 HCT 116 C87(0.97); C120(1.33); C1001(0.92); C1080(0.92)  LDD0732  [15]
 LDCM0416  CL28 HCT 116 C87(1.07); C120(1.35); C1001(0.88); C1080(1.28)  LDD0733  [15]
 LDCM0417  CL29 HCT 116 C87(1.44); C120(1.44); C1001(0.95); C1080(0.97)  LDD0734  [15]
 LDCM0418  CL3 HCT 116 C87(1.21); C120(1.16); C1001(1.05); C1080(0.83)  LDD0735  [15]
 LDCM0419  CL30 HCT 116 C87(1.12); C120(1.37); C1001(1.12); C1080(1.11)  LDD0736  [15]
 LDCM0420  CL31 HCT 116 C87(0.98); C120(1.02); C1001(0.90); C27(0.68)  LDD0737  [15]
 LDCM0421  CL32 HCT 116 C87(0.84); C120(1.05); C1001(1.10); C27(0.57)  LDD0738  [15]
 LDCM0422  CL33 HCT 116 C87(0.98); C120(0.96); C1001(0.90); C27(0.60)  LDD0739  [15]
 LDCM0423  CL34 HCT 116 C87(0.73); C120(1.26); C1001(0.79); C27(0.57)  LDD0740  [15]
 LDCM0424  CL35 HCT 116 C87(0.69); C120(1.10); C1001(0.81); C27(0.61)  LDD0741  [15]
 LDCM0425  CL36 HCT 116 C87(0.64); C120(1.11); C1001(0.78); C27(0.61)  LDD0742  [15]
 LDCM0426  CL37 HCT 116 C87(0.87); C120(1.22); C1001(0.84); C27(0.58)  LDD0743  [15]
 LDCM0428  CL39 HCT 116 C87(0.89); C120(1.18); C1001(0.89); C27(0.57)  LDD0745  [15]
 LDCM0429  CL4 HCT 116 C87(1.22); C120(1.22); C1001(0.86); C1080(1.03)  LDD0746  [15]
 LDCM0430  CL40 HCT 116 C87(0.77); C120(1.05); C1001(0.77); C27(0.53)  LDD0747  [15]
 LDCM0431  CL41 HCT 116 C87(0.94); C120(1.06); C1001(0.86); C27(0.54)  LDD0748  [15]
 LDCM0432  CL42 HCT 116 C87(0.81); C120(1.10); C1001(0.99); C27(0.43)  LDD0749  [15]
 LDCM0433  CL43 HCT 116 C87(1.00); C120(1.30); C1001(0.93); C27(0.52)  LDD0750  [15]
 LDCM0434  CL44 HCT 116 C87(0.81); C120(1.12); C1001(0.83); C27(0.69)  LDD0751  [15]
 LDCM0435  CL45 HCT 116 C87(0.53); C120(1.09); C1001(0.84); C27(0.58)  LDD0752  [15]
 LDCM0436  CL46 HCT 116 C87(0.82); C120(0.87); C1001(1.09); C1080(1.16)  LDD0753  [15]
 LDCM0437  CL47 HCT 116 C87(0.76); C120(0.91); C1001(1.04); C1080(1.06)  LDD0754  [15]
 LDCM0438  CL48 HCT 116 C87(0.70); C120(0.70); C1001(1.14); C1080(1.45)  LDD0755  [15]
 LDCM0439  CL49 HCT 116 C87(1.07); C120(1.13); C1001(1.05); C1080(1.66)  LDD0756  [15]
 LDCM0440  CL5 HCT 116 C87(1.45); C120(1.24); C1001(1.03); C1080(0.89)  LDD0757  [15]
 LDCM0441  CL50 HCT 116 C87(0.80); C120(0.92); C1001(1.09); C1080(1.29)  LDD0758  [15]
 LDCM0442  CL51 HCT 116 C87(0.90); C120(1.03); C1001(1.16); C1080(1.23)  LDD0759  [15]
 LDCM0443  CL52 HCT 116 C87(0.85); C120(0.80); C1001(1.10); C1080(1.31)  LDD0760  [15]
 LDCM0444  CL53 HCT 116 C87(1.01); C120(1.14); C1001(1.05); C1080(1.54)  LDD0761  [15]
 LDCM0445  CL54 HCT 116 C87(1.15); C120(1.11); C1001(0.98); C1080(1.60)  LDD0762  [15]
 LDCM0446  CL55 HCT 116 C87(1.11); C120(1.12); C1001(1.10); C1080(1.29)  LDD0763  [15]
 LDCM0447  CL56 HCT 116 C87(0.83); C120(0.93); C1001(0.97); C1080(1.02)  LDD0764  [15]
 LDCM0448  CL57 HCT 116 C87(0.91); C120(1.05); C1001(1.08); C1080(1.24)  LDD0765  [15]
 LDCM0449  CL58 HCT 116 C87(0.83); C120(0.82); C1001(0.98); C1080(1.45)  LDD0766  [15]
 LDCM0450  CL59 HCT 116 C87(0.87); C120(0.84); C1001(1.00); C1080(1.20)  LDD0767  [15]
 LDCM0451  CL6 HCT 116 C87(1.37); C120(1.19); C1001(1.05); C1080(0.94)  LDD0768  [15]
 LDCM0452  CL60 HCT 116 C87(0.85); C120(0.75); C1001(0.94); C1080(1.49)  LDD0769  [15]
 LDCM0453  CL61 HCT 116 C87(0.92); C120(1.02); C1001(0.95); C336(1.11)  LDD0770  [15]
 LDCM0454  CL62 HCT 116 C87(0.82); C120(0.89); C1001(0.93); C336(0.99)  LDD0771  [15]
 LDCM0455  CL63 HCT 116 C87(0.77); C120(0.72); C1001(0.92); C336(0.90)  LDD0772  [15]
 LDCM0456  CL64 HCT 116 C87(1.01); C120(0.82); C1001(0.85); C336(0.90)  LDD0773  [15]
 LDCM0457  CL65 HCT 116 C87(0.78); C120(0.73); C1001(1.01); C336(1.08)  LDD0774  [15]
 LDCM0458  CL66 HCT 116 C87(0.90); C120(0.88); C1001(0.93); C336(0.85)  LDD0775  [15]
 LDCM0459  CL67 HCT 116 C87(0.91); C120(0.83); C1001(0.96); C336(0.80)  LDD0776  [15]
 LDCM0460  CL68 HCT 116 C87(0.84); C120(0.89); C1001(0.91); C336(0.96)  LDD0777  [15]
 LDCM0461  CL69 HCT 116 C87(1.16); C120(1.75); C1001(1.09); C336(1.16)  LDD0778  [15]
 LDCM0462  CL7 HCT 116 C87(1.05); C120(1.58); C1001(1.04); C1080(0.97)  LDD0779  [15]
 LDCM0463  CL70 HCT 116 C87(0.96); C120(1.00); C1001(0.92); C336(0.97)  LDD0780  [15]
 LDCM0464  CL71 HCT 116 C87(0.91); C120(0.99); C1001(0.81); C336(0.81)  LDD0781  [15]
 LDCM0465  CL72 HCT 116 C87(1.06); C120(1.11); C1001(0.79); C336(1.01)  LDD0782  [15]
 LDCM0466  CL73 HCT 116 C87(0.96); C120(0.94); C1001(0.95); C336(0.72)  LDD0783  [15]
 LDCM0467  CL74 HCT 116 C87(0.86); C120(0.90); C1001(0.89); C336(0.73)  LDD0784  [15]
 LDCM0469  CL76 HCT 116 C87(0.91); C120(0.84); C1001(1.14); C27(0.91)  LDD0786  [15]
 LDCM0470  CL77 HCT 116 C87(0.55); C120(0.63); C1001(1.42); C27(0.88)  LDD0787  [15]
 LDCM0471  CL78 HCT 116 C87(0.97); C120(0.84); C1001(0.82); C27(0.76)  LDD0788  [15]
 LDCM0472  CL79 HCT 116 C87(0.98); C120(1.03); C1001(0.86); C27(0.90)  LDD0789  [15]
 LDCM0473  CL8 HCT 116 C87(0.96); C120(1.29); C1001(1.01); C1080(1.01)  LDD0790  [15]
 LDCM0474  CL80 HCT 116 C87(0.95); C120(1.11); C1001(1.32); C27(1.11)  LDD0791  [15]
 LDCM0475  CL81 HCT 116 C87(0.79); C120(0.93); C1001(0.89); C27(0.78)  LDD0792  [15]
 LDCM0476  CL82 HCT 116 C87(0.75); C120(0.81); C1001(0.99); C27(0.90)  LDD0793  [15]
 LDCM0477  CL83 HCT 116 C87(0.98); C120(0.89); C1001(0.99); C27(0.92)  LDD0794  [15]
 LDCM0478  CL84 HCT 116 C87(1.05); C120(0.89); C1001(1.11); C27(0.89)  LDD0795  [15]
 LDCM0479  CL85 HCT 116 C87(0.97); C120(0.80); C1001(0.90); C27(0.90)  LDD0796  [15]
 LDCM0480  CL86 HCT 116 C87(0.97); C120(0.66); C1001(1.08); C27(0.82)  LDD0797  [15]
 LDCM0481  CL87 HCT 116 C87(1.09); C120(0.96); C1001(0.97); C27(0.72)  LDD0798  [15]
 LDCM0482  CL88 HCT 116 C87(1.33); C120(0.84); C1001(0.94); C27(0.88)  LDD0799  [15]
 LDCM0483  CL89 HCT 116 C87(1.07); C120(0.80); C1001(1.14); C27(0.77)  LDD0800  [15]
 LDCM0484  CL9 HCT 116 C87(0.95); C120(1.25); C1001(0.98); C1080(0.97)  LDD0801  [15]
 LDCM0485  CL90 HCT 116 C87(1.09); C120(0.82); C1001(0.92); C27(0.96)  LDD0802  [15]
 LDCM0486  CL91 HCT 116 C87(1.25); C526(0.74); C120(0.87); C1001(1.00)  LDD0803  [15]
 LDCM0487  CL92 HCT 116 C87(1.15); C526(0.78); C120(1.14); C1001(0.94)  LDD0804  [15]
 LDCM0488  CL93 HCT 116 C87(1.06); C526(0.99); C120(0.86); C1001(1.23)  LDD0805  [15]
 LDCM0489  CL94 HCT 116 C87(1.37); C526(1.11); C120(1.20); C1001(1.48)  LDD0806  [15]
 LDCM0490  CL95 HCT 116 C87(1.18); C526(1.18); C120(0.70); C1001(0.89)  LDD0807  [15]
 LDCM0491  CL96 HCT 116 C87(1.14); C526(0.89); C120(0.70); C1001(0.96)  LDD0808  [15]
 LDCM0492  CL97 HCT 116 C87(1.12); C526(1.17); C120(0.87); C1001(0.86)  LDD0809  [15]
 LDCM0493  CL98 HCT 116 C87(1.34); C526(1.37); C120(1.03); C1001(1.00)  LDD0810  [15]
 LDCM0494  CL99 HCT 116 C87(1.30); C526(1.14); C120(1.01); C1001(1.14)  LDD0811  [15]
 LDCM0634  CY-0357 Hep-G2 C120(1.12)  LDD2228  [22]
 LDCM0495  E2913 HEK-293T C120(0.99); C336(1.08); C185(0.86); C1001(1.02)  LDD1698  [35]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C1001(2.43); C87(1.67); C120(1.43); C336(1.09)  LDD1702  [10]
 LDCM0625  F8 Ramos C433(0.80); C87(1.01); C185(1.21); C120(1.09)  LDD2187  [36]
 LDCM0572  Fragment10 Ramos C433(0.70); C87(1.13); C185(0.51); C120(0.65)  LDD2189  [36]
 LDCM0573  Fragment11 Ramos C433(1.17); C87(0.27); C185(0.55); C400(0.23)  LDD2190  [36]
 LDCM0574  Fragment12 Ramos C433(0.70); C87(1.47); C185(0.89); C120(0.77)  LDD2191  [36]
 LDCM0575  Fragment13 Ramos C433(0.65); C87(0.89); C185(0.76); C120(0.65)  LDD2192  [36]
 LDCM0576  Fragment14 Ramos C433(2.17); C87(1.11); C185(0.86); C120(0.78)  LDD2193  [36]
 LDCM0579  Fragment20 Ramos C433(1.12); C87(2.35); C185(0.70); C120(1.02)  LDD2194  [36]
 LDCM0580  Fragment21 Ramos C433(0.79); C87(1.07); C185(1.07); C120(0.76)  LDD2195  [36]
 LDCM0582  Fragment23 Ramos C433(1.12); C87(0.95); C185(0.51); C120(0.84)  LDD2196  [36]
 LDCM0578  Fragment27 Ramos C433(0.94); C87(1.02); C185(1.11); C120(0.90)  LDD2197  [36]
 LDCM0586  Fragment28 Ramos C433(0.38); C87(0.68); C185(0.64); C120(0.68)  LDD2198  [36]
 LDCM0588  Fragment30 Ramos C433(0.71); C87(1.03); C185(0.68); C120(0.98)  LDD2199  [36]
 LDCM0589  Fragment31 Ramos C433(1.19); C87(1.15); C185(0.81); C120(0.91)  LDD2200  [36]
 LDCM0590  Fragment32 Ramos C433(0.75); C87(0.90); C185(0.59); C120(0.62)  LDD2201  [36]
 LDCM0468  Fragment33 HCT 116 C87(0.79); C120(0.84); C1001(0.87); C336(0.97)  LDD0785  [15]
 LDCM0596  Fragment38 Ramos C433(1.02); C87(1.53); C185(0.61); C120(1.10)  LDD2203  [36]
 LDCM0566  Fragment4 Ramos C433(1.23); C87(0.89); C185(0.78); C120(0.96)  LDD2184  [36]
 LDCM0427  Fragment51 HCT 116 C87(0.49); C120(1.10); C1001(0.86); C27(0.53)  LDD0744  [15]
 LDCM0610  Fragment52 Ramos C433(1.45); C87(1.62); C185(1.32); C120(1.32)  LDD2204  [36]
 LDCM0614  Fragment56 Ramos C433(1.23); C87(0.89); C185(0.71); C120(1.04)  LDD2205  [36]
 LDCM0569  Fragment7 Ramos C433(1.05); C87(0.91); C185(0.91); C120(0.81)  LDD2186  [36]
 LDCM0571  Fragment9 Ramos C433(1.19); C87(1.10); C185(0.55); C120(1.02)  LDD2188  [36]
 LDCM0116  HHS-0101 DM93 Y127(0.55); Y845(0.70); Y608(0.73)  LDD0264  [13]
 LDCM0117  HHS-0201 DM93 Y127(0.62); Y845(0.83); Y608(1.30)  LDD0265  [13]
 LDCM0118  HHS-0301 DM93 Y127(0.73); Y845(0.86); Y608(1.12)  LDD0266  [13]
 LDCM0119  HHS-0401 DM93 Y127(0.78); Y608(0.81); Y845(0.99)  LDD0267  [13]
 LDCM0120  HHS-0701 DM93 Y127(0.71); Y845(1.17); Y608(1.47)  LDD0268  [13]
 LDCM0107  IAA HeLa H1133(0.00); H938(0.00); C433(0.00); H941(0.00)  LDD0221  [27]
 LDCM0123  JWB131 DM93 Y845(1.53)  LDD0285  [12]
 LDCM0125  JWB146 DM93 Y845(1.37)  LDD0287  [12]
 LDCM0126  JWB150 DM93 Y845(2.24)  LDD0288  [12]
 LDCM0127  JWB152 DM93 Y845(2.15)  LDD0289  [12]
 LDCM0128  JWB198 DM93 Y845(0.95)  LDD0290  [12]
 LDCM0129  JWB202 DM93 Y845(0.31)  LDD0291  [12]
 LDCM0130  JWB211 DM93 Y845(0.90)  LDD0292  [12]
 LDCM0022  KB02 HEK-293T C120(1.09); C336(0.92); C185(1.14); C1001(0.94)  LDD1492  [35]
 LDCM0023  KB03 Jurkat C526(6.74); C1001(9.02)  LDD0209  [37]
 LDCM0024  KB05 COLO792 C400(2.27); C120(2.09); C433(2.46)  LDD3310  [38]
 LDCM0109  NEM HeLa H941(0.00); H938(0.00); H1133(0.00); H854(0.00)  LDD0223  [27]
 LDCM0501  Nucleophilic fragment 13b MDA-MB-231 C1001(0.79)  LDD2094  [10]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C1001(1.00)  LDD2098  [10]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C120(1.51)  LDD2099  [10]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C120(1.36); C1001(1.28)  LDD2107  [10]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C120(1.21)  LDD2109  [10]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C512(1.09)  LDD2118  [10]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C336(4.54)  LDD2119  [10]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C336(0.58)  LDD2123  [10]
 LDCM0531  Nucleophilic fragment 28b MDA-MB-231 C512(0.18)  LDD2124  [10]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C120(0.99)  LDD2127  [10]
 LDCM0535  Nucleophilic fragment 30b MDA-MB-231 C512(0.47)  LDD2128  [10]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C120(1.11)  LDD2135  [10]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C336(3.12)  LDD2136  [10]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C120(1.18)  LDD2137  [10]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C120(1.12)  LDD2140  [10]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C120(1.49)  LDD2144  [10]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C512(0.33)  LDD2150  [10]
 LDCM0557  Nucleophilic fragment 8b MDA-MB-231 C512(0.52)  LDD2151  [10]
 LDCM0627  NUDT7-COV-1 HEK-293T C433(0.58); C526(0.57)  LDD2206  [39]
 LDCM0628  OTUB2-COV-1 HEK-293T C526(0.60)  LDD2207  [39]
 LDCM0131  RA190 MM1.R C185(1.30); C526(1.27)  LDD0304  [40]
 LDCM0021  THZ1 HeLa S3 C400(1.13); C87(1.07); C357(1.00); C433(0.97)  LDD0460  [9]
 LDCM0112  W16 Hep-G2 C400(0.51)  LDD0239  [28]

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
Bifunctional glutamate/proline--tRNA ligase (EPRS1) Class-I aminoacyl-tRNA synthetase family P07814

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
Isoleucine Small molecular drug DB00167
Discontinued
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Reveromycin A Small molecular drug D0N1BC

References

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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 Small-Molecule Activity-Based Probe for Monitoring Ubiquitin C-Terminal Hydrolase L1 (UCHL1) Activity in Live Cells and Zebrafish Embryos. J Am Chem Soc. 2020 Sep 30;142(39):16825-16841. doi: 10.1021/jacs.0c07726. Epub 2020 Sep 18.
Mass spectrometry data entry: PXD021557 , PXD015828
4 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.
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 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
7 A chemical proteomics approach for global mapping of functional lysines on cell surface of living cell. Nat Commun. 2024 Apr 8;15(1):2997. doi: 10.1038/s41467-024-47033-w.
Mass spectrometry data entry: PXD042888
8 An Azo Coupling-Based Chemoproteomic Approach to Systematically Profile the Tyrosine Reactivity in the Human Proteome. Anal Chem. 2021 Jul 27;93(29):10334-10342. doi: 10.1021/acs.analchem.1c01935. Epub 2021 Jul 12.
9 A Chemoproteomic Strategy for Direct and Proteome-Wide Covalent Inhibitor Target-Site Identification. J Am Chem Soc. 2019 Jan 9;141(1):191-203. doi: 10.1021/jacs.8b07911. Epub 2018 Dec 20.
10 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
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 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.
13 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.
14 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.
15 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.
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 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
18 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
19 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
20 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
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 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
23 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
24 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
25 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
26 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.
27 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.
28 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.
29 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.
30 Ligand and Target Discovery by Fragment-Based Screening in Human Cells. Cell. 2017 Jan 26;168(3):527-541.e29. doi: 10.1016/j.cell.2016.12.029. Epub 2017 Jan 19.
31 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.
32 Cell-based proteome profiling of potential dasatinib targets by use of affinity-based probes. J Am Chem Soc. 2012 Feb 15;134(6):3001-14. doi: 10.1021/ja208518u. Epub 2012 Feb 1.
33 Proteome profiling reveals potential cellular targets of staurosporine using a clickable cell-permeable probe. Chem Commun (Camb). 2011 Oct 28;47(40):11306-8. doi: 10.1039/c1cc14824a. Epub 2011 Sep 16.
34 Covalent Ligand Screening Uncovers a RNF4 E3 Ligase Recruiter for Targeted Protein Degradation Applications. ACS Chem Biol. 2019 Nov 15;14(11):2430-2440. doi: 10.1021/acschembio.8b01083. Epub 2019 May 13.
35 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
36 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
37 Covalent Inhibition by a Natural Product-Inspired Latent Electrophile. J Am Chem Soc. 2023 May 24;145(20):11097-11109. doi: 10.1021/jacs.3c00598. Epub 2023 May 15.
38 DrugMap: A quantitative pan-cancer analysis of cysteine ligandability. Cell. 2024 May 9;187(10):2536-2556.e30. doi: 10.1016/j.cell.2024.03.027. Epub 2024 Apr 22.
Mass spectrometry data entry: PXD047840
39 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.
40 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.