Details of the Target

General Information of Target

Target ID LDTP02924
Target Name Probable ATP-dependent RNA helicase DDX5 (DDX5)
Gene Name DDX5
Gene ID 1655
Synonyms
G17P1; HELR; HLR1; Probable ATP-dependent RNA helicase DDX5; EC 3.6.4.13; DEAD box protein 5; RNA helicase p68
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MSGYSSDRDRGRDRGFGAPRFGGSRAGPLSGKKFGNPGEKLVKKKWNLDELPKFEKNFYQ
EHPDLARRTAQEVETYRRSKEITVRGHNCPKPVLNFYEANFPANVMDVIARQNFTEPTAI
QAQGWPVALSGLDMVGVAQTGSGKTLSYLLPAIVHINHQPFLERGDGPICLVLAPTRELA
QQVQQVAAEYCRACRLKSTCIYGGAPKGPQIRDLERGVEICIATPGRLIDFLECGKTNLR
RTTYLVLDEADRMLDMGFEPQIRKIVDQIRPDRQTLMWSATWPKEVRQLAEDFLKDYIHI
NIGALELSANHNILQIVDVCHDVEKDEKLIRLMEEIMSEKENKTIVFVETKRRCDELTRK
MRRDGWPAMGIHGDKSQQERDWVLNEFKHGKAPILIATDVASRGLDVEDVKFVINYDYPN
SSEDYIHRIGRTARSTKTGTAYTFFTPNNIKQVSDLISVLREANQAINPKLLQLVEDRGS
GRSRGRGGMKDDRRDRYSAGKRGGFNTFRDRENYDRGYSSLLKRDFGAKTQNGVYSAANY
TNGSFGSNFVSAGIQTSFRTGNPTGTYQNGYDSTQQYGSNVPNMHNGMNQQAYAYPATAA
APMIGYPMPTGYSQ
Target Type
Clinical trial
Target Bioclass
Enzyme
Family
DEAD box helicase family, DDX5/DBP2 subfamily
Subcellular location
Nucleus
Function
Involved in the alternative regulation of pre-mRNA splicing; its RNA helicase activity is necessary for increasing tau exon 10 inclusion and occurs in a RBM4-dependent manner. Binds to the tau pre-mRNA in the stem-loop region downstream of exon 10. The rate of ATP hydrolysis is highly stimulated by single-stranded RNA. Involved in transcriptional regulation; the function is independent of the RNA helicase activity. Transcriptional coactivator for androgen receptor AR but probably not ESR1. Synergizes with DDX17 and SRA1 RNA to activate MYOD1 transcriptional activity and involved in skeletal muscle differentiation. Transcriptional coactivator for p53/TP53 and involved in p53/TP53 transcriptional response to DNA damage and p53/TP53-dependent apoptosis. Transcriptional coactivator for RUNX2 and involved in regulation of osteoblast differentiation. Acts as a transcriptional repressor in a promoter-specific manner; the function probably involves association with histone deacetylases, such as HDAC1. As component of a large PER complex is involved in the inhibition of 3' transcriptional termination of circadian target genes such as PER1 and NR1D1 and the control of the circadian rhythms.
TTD ID
T27918
Uniprot ID
P17844
DrugMap ID
TTOTSW1
Ensemble ID
ENST00000225792.10
HGNC ID
HGNC:2746
ChEMBL ID
CHEMBL4295722

Target Site Mutations in Different Cell Lines

Cell line Mutation details Probe for labeling this protein in this cell
HT115 SNV: p.F101S; p.K343T DBIA    Probe Info 
JURKAT SNV: p.R484S Compound 10    Probe Info 
MFE319 SNV: p.V93A DBIA    Probe Info 
OVTOKO SNV: p.S498T DBIA    Probe Info 
SW756 SNV: p.M361I DBIA    Probe Info 

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 54 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
m-APA
 Probe Info  		7.38  LDD0402  [1]
P1
 Probe Info  		10.00  LDD0452  [2]
P8
 Probe Info  		2.64  LDD0451  [2]
A-EBA
 Probe Info  		3.40  LDD0215  [3]
N1
 Probe Info  		2.14  LDD0242  [4]
TH211
 Probe Info  		Y518(20.00); Y442(11.87); Y514(7.14)  LDD0257  [5]
TH216
 Probe Info  		Y442(13.42); Y518(9.93)  LDD0259  [5]
YN-1
 Probe Info  		100.00  LDD0444  [6]
YN-4
 Probe Info  		100.00  LDD0445  [6]
BTD
 Probe Info  		C354(2.76)  LDD1699  [7]
ONAyne
 Probe Info  		K388(0.00); K80(0.00); K470(0.00); K32(0.00)  LDD0273  [8]
OPA-S-S-alkyne
 Probe Info  		K284(0.51); K236(2.34); K375(2.45); K56(2.69)  LDD3494  [9]
Probe 1
 Probe Info  		Y59(5.21); Y76(41.02); Y190(5.72); Y202(105.96)  LDD3495  [10]
AF-2
 Probe Info  		10.00  LDD0422  [11]
THZ1-DTB
 Probe Info  		C234(1.11); C221(1.02)  LDD0460  [12]
AZ-9
 Probe Info  		10.00  LDD2154  [13]
AHL-Pu-1
 Probe Info  		C234(2.07); C221(2.11); C200(2.11); C191(2.02)  LDD0169  [14]
HHS-475
 Probe Info  		Y518(0.90)  LDD0264  [15]
HHS-465
 Probe Info  		Y518(4.75)  LDD2237  [16]
DBIA
 Probe Info  		C191(1.86); C234(1.34)  LDD0080  [17]
5E-2FA
 Probe Info  		H62(0.00); H155(0.00)  LDD2235  [18]
AMP probe
 Probe Info  		K470(0.00); K391(0.00); K388(0.00)  LDD0200  [19]
ATP probe
 Probe Info  		K470(0.00); K391(0.00); K388(0.00); K351(0.00)  LDD0199  [19]
4-Iodoacetamidophenylacetylene
 Probe Info  		C320(0.00); C191(0.00); C89(0.00); C234(0.00)  LDD0038  [20]
IA-alkyne
 Probe Info  		C354(0.00); C170(0.00); C234(0.00); C221(0.00)  LDD0032  [21]
IPIAA_H
 Probe Info  		C191(0.00); C170(0.00); C234(0.00); C320(0.00)  LDD0030  [22]
IPIAA_L
 Probe Info  		C354(0.00); C170(0.00); C89(0.00); C320(0.00)  LDD0031  [22]
Lodoacetamide azide
 Probe Info  		C320(0.00); C191(0.00); C89(0.00); C234(0.00)  LDD0037  [20]
ATP probe
 Probe Info  		K45(0.00); K197(0.00); K470(0.00); K437(0.00)  LDD0035  [23]
JW-RF-010
 Probe Info  		C200(0.00); C191(0.00)  LDD0026  [24]
NAIA_4
 Probe Info  		C191(0.00); C234(0.00); C354(0.00)  LDD2226  [25]
TFBX
 Probe Info  		C191(0.00); C234(0.00); C200(0.00); C354(0.00)  LDD0027  [24]
WYneN
 Probe Info  		C191(0.00); C200(0.00); C234(0.00); C170(0.00)  LDD0021  [26]
WYneO
 Probe Info  		C170(0.00); C234(0.00); C200(0.00)  LDD0022  [26]
Compound 10
 Probe Info  		C191(0.00); C234(0.00)  LDD2216  [27]
Compound 11
 Probe Info  		N.A.  LDD2213  [27]
ENE
 Probe Info  		C170(0.00); C234(0.00); C191(0.00)  LDD0006  [26]
IPM
 Probe Info  		N.A.  LDD0005  [26]
NHS
 Probe Info  		K340(0.00); K388(0.00); K470(0.00)  LDD0010  [26]
PF-06672131
 Probe Info  		N.A.  LDD0017  [28]
SF
 Probe Info  		K40(0.00); Y518(0.00); Y425(0.00); K470(0.00)  LDD0028  [29]
STPyne
 Probe Info  		K207(0.00); K470(0.00); K236(0.00); K391(0.00)  LDD0009  [26]
VSF
 Probe Info  		C221(0.00); C234(0.00); C191(0.00); C354(0.00)  LDD0007  [26]
Phosphinate-6
 Probe Info  		C200(0.00); C354(0.00); C234(0.00)  LDD0018  [30]
Ox-W18
 Probe Info  		W366(0.00); W382(0.00)  LDD2175  [31]
1c-yne
 Probe Info  		K437(0.00); K53(0.00); K411(0.00); K91(0.00)  LDD0228  [32]
1d-yne
 Probe Info  		N.A.  LDD0357  [32]
Acrolein
 Probe Info  		C191(0.00); H427(0.00); C234(0.00); H62(0.00)  LDD0217  [33]
Cinnamaldehyde
 Probe Info  		N.A.  LDD0220  [33]
Crotonaldehyde
 Probe Info  		C234(0.00); C354(0.00); H62(0.00); C191(0.00)  LDD0219  [33]
Methacrolein
 Probe Info  		C191(0.00); C234(0.00); C354(0.00); C89(0.00)  LDD0218  [33]
W1
 Probe Info  		C170(0.00); C234(0.00); C191(0.00); C354(0.00)  LDD0236  [34]
NAIA_5
 Probe Info  		C354(0.00); C221(0.00); C320(0.00); C191(0.00)  LDD2223  [25]
HHS-482
 Probe Info  		Y514(0.94); Y518(1.04)  LDD2239  [16]
PAL-AfBPP Probe
Click To Hide/Show 10 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
FFF probe11
 Probe Info  		6.94  LDD0472  [35]
FFF probe13
 Probe Info  		9.75  LDD0475  [35]
FFF probe14
 Probe Info  		6.38  LDD0477  [35]
FFF probe2
 Probe Info  		7.80  LDD0463  [35]
FFF probe3
 Probe Info  		7.78  LDD0464  [35]
FFF probe4
 Probe Info  		5.00  LDD0466  [35]
STS-1
 Probe Info  		6.64  LDD0136  [36]
STS-2
 Probe Info  		6.00  LDD0138  [36]
HM-1
 Probe Info  		1.50  LDD0438  [37]
DA-2
 Probe Info  		N.A.  LDD0071  [38]

Competitor(s) Related to This Target

Competitor ID Name Cell line Binding Site(Ratio) Interaction ID Ref
 LDCM0548  1-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-nitroethan-1-one MDA-MB-231 C354(0.58); C89(0.67); C234(0.62); C191(0.65)  LDD2142  [7]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C354(0.77); C89(0.66); C234(0.93); C191(0.92)  LDD2112  [7]
 LDCM0502  1-(Cyanoacetyl)piperidine MDA-MB-231 C354(0.55); C89(0.49)  LDD2095  [7]
 LDCM0537  2-Cyano-N,N-dimethylacetamide MDA-MB-231 C354(0.81); C89(0.72)  LDD2130  [7]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C354(1.18); C89(0.76); C191(1.34)  LDD2117  [7]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C354(1.59); C89(1.21)  LDD2152  [7]
 LDCM0510  3-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-3-oxopropanenitrile MDA-MB-231 C354(0.83); C89(0.79)  LDD2103  [7]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C89(0.43)  LDD2132  [7]
 LDCM0538  4-(Cyanoacetyl)morpholine MDA-MB-231 C354(0.67); C89(0.59)  LDD2131  [7]
 LDCM0025  4SU-RNA HEK-293T C170(2.31)  LDD0172  [14]
 LDCM0026  4SU-RNA+native RNA HEK-293T C234(2.07); C221(2.11); C200(2.11); C191(2.02)  LDD0169  [14]
 LDCM0214  AC1 HCT 116 C191(0.78); C234(1.31); C354(1.31)  LDD0531  [17]
 LDCM0215  AC10 HCT 116 C191(0.76); C234(1.23); C354(1.23)  LDD0532  [17]
 LDCM0216  AC100 HCT 116 C191(1.08); C234(1.03)  LDD0533  [17]
 LDCM0217  AC101 HCT 116 C191(0.81); C234(1.00)  LDD0534  [17]
 LDCM0218  AC102 HCT 116 C191(1.15); C234(0.96)  LDD0535  [17]
 LDCM0219  AC103 HCT 116 C191(0.86); C234(1.06)  LDD0536  [17]
 LDCM0220  AC104 HCT 116 C191(1.02); C234(0.99)  LDD0537  [17]
 LDCM0221  AC105 HCT 116 C191(1.01); C234(1.03)  LDD0538  [17]
 LDCM0222  AC106 HCT 116 C191(1.01); C234(1.11)  LDD0539  [17]
 LDCM0223  AC107 HCT 116 C191(1.03); C234(0.94)  LDD0540  [17]
 LDCM0224  AC108 HCT 116 C191(0.95); C234(0.92)  LDD0541  [17]
 LDCM0225  AC109 HCT 116 C191(1.02); C234(0.84)  LDD0542  [17]
 LDCM0226  AC11 HCT 116 C191(0.77); C234(1.25); C354(1.59)  LDD0543  [17]
 LDCM0227  AC110 HCT 116 C191(0.94); C234(0.91)  LDD0544  [17]
 LDCM0228  AC111 HCT 116 C191(0.78); C234(0.89)  LDD0545  [17]
 LDCM0229  AC112 HCT 116 C191(0.75); C234(1.06)  LDD0546  [17]
 LDCM0230  AC113 HCT 116 C191(0.93); C234(1.00); C354(0.86)  LDD0547  [17]
 LDCM0231  AC114 HCT 116 C191(1.11); C234(1.13); C354(0.83)  LDD0548  [17]
 LDCM0232  AC115 HCT 116 C191(0.98); C234(1.17); C354(0.79)  LDD0549  [17]
 LDCM0233  AC116 HCT 116 C191(1.03); C234(1.14); C354(0.74)  LDD0550  [17]
 LDCM0234  AC117 HCT 116 C191(0.93); C234(1.07); C354(0.69)  LDD0551  [17]
 LDCM0235  AC118 HCT 116 C191(1.16); C234(1.05); C354(1.08)  LDD0552  [17]
 LDCM0236  AC119 HCT 116 C191(1.04); C234(1.08); C354(0.97)  LDD0553  [17]
 LDCM0237  AC12 HCT 116 C191(0.98); C234(1.10); C354(1.70)  LDD0554  [17]
 LDCM0238  AC120 HCT 116 C191(1.26); C234(1.12); C354(0.88)  LDD0555  [17]
 LDCM0239  AC121 HCT 116 C191(1.34); C234(1.03); C354(1.06)  LDD0556  [17]
 LDCM0240  AC122 HCT 116 C191(1.13); C234(1.06); C354(0.93)  LDD0557  [17]
 LDCM0241  AC123 HCT 116 C191(1.38); C234(1.00); C354(1.02)  LDD0558  [17]
 LDCM0242  AC124 HCT 116 C191(1.39); C234(0.92); C354(1.06)  LDD0559  [17]
 LDCM0243  AC125 HCT 116 C191(1.26); C234(1.05); C354(0.94)  LDD0560  [17]
 LDCM0244  AC126 HCT 116 C191(1.40); C234(1.20); C354(0.76)  LDD0561  [17]
 LDCM0245  AC127 HCT 116 C191(1.51); C234(1.12); C354(0.92)  LDD0562  [17]
 LDCM0246  AC128 HCT 116 C191(0.96); C234(1.08)  LDD0563  [17]
 LDCM0247  AC129 HCT 116 C191(1.15); C234(0.94)  LDD0564  [17]
 LDCM0249  AC130 HCT 116 C191(0.85); C234(1.15)  LDD0566  [17]
 LDCM0250  AC131 HCT 116 C191(1.18); C234(0.83)  LDD0567  [17]
 LDCM0251  AC132 HCT 116 C191(0.95); C234(0.98)  LDD0568  [17]
 LDCM0252  AC133 HCT 116 C191(0.84); C234(1.08)  LDD0569  [17]
 LDCM0253  AC134 HCT 116 C191(0.78); C234(1.10)  LDD0570  [17]
 LDCM0254  AC135 HCT 116 C191(0.76); C234(1.13)  LDD0571  [17]
 LDCM0255  AC136 HCT 116 C191(0.85); C234(1.06)  LDD0572  [17]
 LDCM0256  AC137 HCT 116 C191(0.91); C234(1.05)  LDD0573  [17]
 LDCM0257  AC138 HCT 116 C191(0.90); C234(1.19)  LDD0574  [17]
 LDCM0258  AC139 HCT 116 C191(0.80); C234(1.03)  LDD0575  [17]
 LDCM0259  AC14 HCT 116 C191(0.82); C234(1.14); C354(1.65)  LDD0576  [17]
 LDCM0260  AC140 HCT 116 C191(0.76); C234(1.08)  LDD0577  [17]
 LDCM0261  AC141 HCT 116 C191(0.82); C234(1.00)  LDD0578  [17]
 LDCM0262  AC142 HCT 116 C191(0.81); C234(0.89)  LDD0579  [17]
 LDCM0263  AC143 HCT 116 C191(0.97); C234(1.14)  LDD0580  [17]
 LDCM0264  AC144 HCT 116 C191(0.97); C234(1.20)  LDD0581  [17]
 LDCM0265  AC145 HCT 116 C191(0.86); C234(1.16)  LDD0582  [17]
 LDCM0266  AC146 HCT 116 C191(0.82); C234(1.17)  LDD0583  [17]
 LDCM0267  AC147 HCT 116 C191(0.88); C234(1.27)  LDD0584  [17]
 LDCM0268  AC148 HCT 116 C191(0.71); C234(1.29)  LDD0585  [17]
 LDCM0269  AC149 HCT 116 C191(0.63); C234(1.13)  LDD0586  [17]
 LDCM0270  AC15 HCT 116 C191(0.84); C234(1.19); C354(1.63)  LDD0587  [17]
 LDCM0271  AC150 HCT 116 C234(1.01); C191(1.04)  LDD0588  [17]
 LDCM0272  AC151 HCT 116 C191(0.76); C234(1.06)  LDD0589  [17]
 LDCM0273  AC152 HCT 116 C191(0.78); C234(1.13)  LDD0590  [17]
 LDCM0274  AC153 HCT 116 C191(0.60); C234(1.37)  LDD0591  [17]
 LDCM0621  AC154 HCT 116 C191(1.08); C234(1.13)  LDD2158  [17]
 LDCM0622  AC155 HCT 116 C191(0.79); C234(1.04)  LDD2159  [17]
 LDCM0623  AC156 HCT 116 C191(1.07); C234(0.93)  LDD2160  [17]
 LDCM0624  AC157 HCT 116 C191(1.12); C234(0.96)  LDD2161  [17]
 LDCM0276  AC17 HCT 116 C354(0.84); C234(1.08); C191(1.13)  LDD0593  [17]
 LDCM0277  AC18 HCT 116 C191(0.89); C354(0.97); C234(1.36)  LDD0594  [17]
 LDCM0278  AC19 HCT 116 C354(0.82); C191(0.86); C234(1.03)  LDD0595  [17]
 LDCM0279  AC2 HCT 116 C354(0.82); C191(0.85); C234(1.13)  LDD0596  [17]
 LDCM0280  AC20 HCT 116 C354(0.90); C191(0.98); C234(1.06)  LDD0597  [17]
 LDCM0281  AC21 HCT 116 C354(0.89); C234(1.00); C191(1.02)  LDD0598  [17]
 LDCM0282  AC22 HCT 116 C354(0.90); C234(1.03); C191(1.23)  LDD0599  [17]
 LDCM0283  AC23 HCT 116 C354(0.75); C191(1.00); C234(1.02)  LDD0600  [17]
 LDCM0284  AC24 HCT 116 C354(0.76); C234(0.99); C191(1.20)  LDD0601  [17]
 LDCM0285  AC25 HCT 116 C191(0.85); C354(0.99); C234(1.02)  LDD0602  [17]
 LDCM0286  AC26 HCT 116 C191(0.83); C354(0.87); C234(1.20)  LDD0603  [17]
 LDCM0287  AC27 HCT 116 C191(0.74); C234(1.21); C354(1.76)  LDD0604  [17]
 LDCM0288  AC28 HCT 116 C191(0.75); C234(1.24); C354(1.60)  LDD0605  [17]
 LDCM0289  AC29 HCT 116 C191(0.70); C354(1.17); C234(1.19)  LDD0606  [17]
 LDCM0290  AC3 HCT 116 C354(0.82); C191(0.88); C234(1.15)  LDD0607  [17]
 LDCM0291  AC30 HCT 116 C191(0.66); C354(0.99); C234(1.39)  LDD0608  [17]
 LDCM0292  AC31 HCT 116 C191(0.60); C354(1.16); C234(1.17)  LDD0609  [17]
 LDCM0293  AC32 HCT 116 C191(0.52); C354(0.85); C234(1.46)  LDD0610  [17]
 LDCM0294  AC33 HCT 116 C191(0.66); C354(0.97); C234(1.20)  LDD0611  [17]
 LDCM0295  AC34 HCT 116 C191(0.65); C354(1.26); C234(1.30)  LDD0612  [17]
 LDCM0296  AC35 HCT 116 C234(0.96); C191(1.11)  LDD0613  [17]
 LDCM0297  AC36 HCT 116 C234(1.00); C191(1.15)  LDD0614  [17]
 LDCM0298  AC37 HCT 116 C234(1.01); C191(1.24)  LDD0615  [17]
 LDCM0299  AC38 HCT 116 C234(0.95); C191(1.16)  LDD0616  [17]
 LDCM0300  AC39 HCT 116 C234(1.13); C191(1.16)  LDD0617  [17]
 LDCM0301  AC4 HCT 116 C191(0.93); C354(1.29); C234(1.32)  LDD0618  [17]
 LDCM0302  AC40 HCT 116 C191(0.95); C234(1.20)  LDD0619  [17]
 LDCM0303  AC41 HCT 116 C191(0.86); C234(1.14)  LDD0620  [17]
 LDCM0304  AC42 HCT 116 C191(0.80); C234(1.16)  LDD0621  [17]
 LDCM0305  AC43 HCT 116 C191(0.88); C234(1.12)  LDD0622  [17]
 LDCM0306  AC44 HCT 116 C191(1.01); C234(1.16)  LDD0623  [17]
 LDCM0307  AC45 HCT 116 C191(0.85); C234(1.22)  LDD0624  [17]
 LDCM0308  AC46 HCT 116 C191(1.06); C234(1.07)  LDD0625  [17]
 LDCM0309  AC47 HCT 116 C191(0.96); C234(1.09)  LDD0626  [17]
 LDCM0310  AC48 HCT 116 C191(0.78); C234(1.10)  LDD0627  [17]
 LDCM0311  AC49 HCT 116 C191(0.68); C234(1.22)  LDD0628  [17]
 LDCM0312  AC5 HCT 116 C191(0.88); C354(1.09); C234(1.38)  LDD0629  [17]
 LDCM0313  AC50 HCT 116 C191(0.87); C234(1.22)  LDD0630  [17]
 LDCM0314  AC51 HCT 116 C234(0.98); C191(1.65)  LDD0631  [17]
 LDCM0315  AC52 HCT 116 C234(1.04); C191(1.10)  LDD0632  [17]
 LDCM0316  AC53 HCT 116 C191(0.66); C234(1.01)  LDD0633  [17]
 LDCM0317  AC54 HCT 116 C191(0.96); C234(1.01)  LDD0634  [17]
 LDCM0318  AC55 HCT 116 C191(0.78); C234(1.11)  LDD0635  [17]
 LDCM0319  AC56 HCT 116 C191(0.83); C234(1.30)  LDD0636  [17]
 LDCM0320  AC57 HCT 116 C191(0.63); C354(1.07); C234(1.31)  LDD0637  [17]
 LDCM0321  AC58 HCT 116 C191(0.60); C234(1.28); C354(1.85)  LDD0638  [17]
 LDCM0322  AC59 HCT 116 C191(0.58); C354(1.32); C234(1.38)  LDD0639  [17]
 LDCM0323  AC6 HCT 116 C191(0.80); C354(0.86); C234(1.19)  LDD0640  [17]
 LDCM0324  AC60 HCT 116 C191(0.62); C354(1.19); C234(1.29)  LDD0641  [17]
 LDCM0325  AC61 HCT 116 C191(0.55); C234(1.20); C354(1.32)  LDD0642  [17]
 LDCM0326  AC62 HCT 116 C191(0.55); C354(1.11); C234(1.36)  LDD0643  [17]
 LDCM0327  AC63 HCT 116 C191(0.69); C234(1.27); C354(1.33)  LDD0644  [17]
 LDCM0328  AC64 HCT 116 C191(0.76); C354(1.13); C234(1.40)  LDD0645  [17]
 LDCM0329  AC65 HCT 116 C191(0.51); C354(1.32); C234(1.57)  LDD0646  [17]
 LDCM0330  AC66 HCT 116 C191(0.54); C354(1.02); C234(1.56)  LDD0647  [17]
 LDCM0331  AC67 HCT 116 C191(0.50); C354(0.99); C234(1.64)  LDD0648  [17]
 LDCM0332  AC68 HCT 116 C191(0.98); C234(0.99); C354(1.33)  LDD0649  [17]
 LDCM0333  AC69 HCT 116 C234(1.02); C191(1.07); C354(1.51)  LDD0650  [17]
 LDCM0334  AC7 HCT 116 C191(0.86); C354(0.93); C234(1.23)  LDD0651  [17]
 LDCM0335  AC70 HCT 116 C191(0.84); C234(0.94); C354(1.05)  LDD0652  [17]
 LDCM0336  AC71 HCT 116 C234(0.95); C191(1.30); C354(1.45)  LDD0653  [17]
 LDCM0337  AC72 HCT 116 C234(1.03); C191(1.04); C354(1.13)  LDD0654  [17]
 LDCM0338  AC73 HCT 116 C354(0.81); C191(0.85); C234(1.15)  LDD0655  [17]
 LDCM0339  AC74 HCT 116 C191(0.93); C354(0.95); C234(1.12)  LDD0656  [17]
 LDCM0340  AC75 HCT 116 C354(0.80); C191(0.90); C234(1.17)  LDD0657  [17]
 LDCM0341  AC76 HCT 116 C234(1.01); C354(1.03); C191(1.10)  LDD0658  [17]
 LDCM0342  AC77 HCT 116 C191(0.84); C354(0.91); C234(1.05)  LDD0659  [17]
 LDCM0343  AC78 HCT 116 C354(0.99); C234(1.00); C191(1.01)  LDD0660  [17]
 LDCM0344  AC79 HCT 116 C354(0.86); C234(1.02); C191(1.07)  LDD0661  [17]
 LDCM0345  AC8 HCT 116 C191(0.83); C354(1.24); C234(1.29)  LDD0662  [17]
 LDCM0346  AC80 HCT 116 C354(0.76); C234(0.99); C191(1.04)  LDD0663  [17]
 LDCM0347  AC81 HCT 116 C354(0.89); C234(0.94); C191(1.42)  LDD0664  [17]
 LDCM0348  AC82 HCT 116 C354(0.79); C234(1.14); C191(1.16)  LDD0665  [17]
 LDCM0349  AC83 HCT 116 C191(0.60); C354(1.12); C234(1.17)  LDD0666  [17]
 LDCM0350  AC84 HCT 116 C191(0.65); C354(1.08); C234(1.09)  LDD0667  [17]
 LDCM0351  AC85 HCT 116 C191(0.66); C234(1.08); C354(1.17)  LDD0668  [17]
 LDCM0352  AC86 HCT 116 C191(0.73); C234(1.14); C354(1.30)  LDD0669  [17]
 LDCM0353  AC87 HCT 116 C191(0.81); C234(0.92); C354(1.17)  LDD0670  [17]
 LDCM0354  AC88 HCT 116 C191(0.82); C234(0.98); C354(1.12)  LDD0671  [17]
 LDCM0355  AC89 HCT 116 C191(0.73); C234(1.06); C354(1.24)  LDD0672  [17]
 LDCM0357  AC90 HCT 116 C191(1.02); C234(1.03); C354(1.14)  LDD0674  [17]
 LDCM0358  AC91 HCT 116 C191(0.65); C354(0.92); C234(1.12)  LDD0675  [17]
 LDCM0359  AC92 HCT 116 C191(0.65); C354(0.98); C234(1.10)  LDD0676  [17]
 LDCM0360  AC93 HCT 116 C191(0.82); C354(0.97); C234(0.98)  LDD0677  [17]
 LDCM0361  AC94 HCT 116 C191(0.92); C234(1.10); C354(1.24)  LDD0678  [17]
 LDCM0362  AC95 HCT 116 C191(0.69); C234(0.89); C354(1.19)  LDD0679  [17]
 LDCM0363  AC96 HCT 116 C191(0.78); C354(0.97); C234(1.00)  LDD0680  [17]
 LDCM0364  AC97 HCT 116 C191(0.65); C354(1.07); C234(1.09)  LDD0681  [17]
 LDCM0365  AC98 HCT 116 C191(0.75); C234(1.11)  LDD0682  [17]
 LDCM0366  AC99 HCT 116 C191(0.89); C234(1.02)  LDD0683  [17]
 LDCM0545  Acetamide MDA-MB-231 C354(0.44); C89(0.26)  LDD2138  [7]
 LDCM0166  Afatinib A431 10.00  LDD0422  [11]
 LDCM0520  AKOS000195272 MDA-MB-231 C354(0.74); C89(0.67)  LDD2113  [7]
 LDCM0248  AKOS034007472 HCT 116 C191(0.87); C234(1.05); C354(1.45)  LDD0565  [17]
 LDCM0356  AKOS034007680 HCT 116 C191(0.83); C234(1.09); C354(1.45)  LDD0673  [17]
 LDCM0275  AKOS034007705 HCT 116 C191(0.62); C354(1.24); C234(1.55)  LDD0592  [17]
 LDCM0020  ARS-1620 HCC44 C234(1.11)  LDD2171  [17]
 LDCM0151  AZ-11 HeLa 10.00  LDD2154  [13]
 LDCM0498  BS-3668 MDA-MB-231 C354(0.51)  LDD2091  [7]
 LDCM0630  CCW28-3 231MFP C234(1.53)  LDD2214  [39]
 LDCM0108  Chloroacetamide HeLa C89(0.00); C191(0.00); C234(0.00); C354(0.00)  LDD0222  [33]
 LDCM0632  CL-Sc Hep-G2 C354(1.85); C234(1.33); C191(0.58)  LDD2227  [25]
 LDCM0367  CL1 HCT 116 C234(0.93); C354(1.03); C191(1.12)  LDD0684  [17]
 LDCM0368  CL10 HCT 116 C354(0.41); C191(0.75); C234(1.25)  LDD0685  [17]
 LDCM0369  CL100 HCT 116 C191(0.86); C354(1.23); C234(1.26)  LDD0686  [17]
 LDCM0370  CL101 HCT 116 C191(0.85); C354(1.03); C234(1.20)  LDD0687  [17]
 LDCM0371  CL102 HCT 116 C191(0.92); C234(1.06); C354(1.51)  LDD0688  [17]
 LDCM0372  CL103 HCT 116 C234(1.04); C191(1.06); C354(1.15)  LDD0689  [17]
 LDCM0373  CL104 HCT 116 C191(0.91); C354(1.06); C234(1.07)  LDD0690  [17]
 LDCM0374  CL105 HCT 116 C191(0.92); C354(1.02); C234(1.13)  LDD0691  [17]
 LDCM0375  CL106 HCT 116 C191(0.78); C354(0.84); C234(1.26)  LDD0692  [17]
 LDCM0376  CL107 HCT 116 C191(0.90); C354(0.90); C234(1.32)  LDD0693  [17]
 LDCM0377  CL108 HCT 116 C191(0.82); C354(1.01); C234(1.31)  LDD0694  [17]
 LDCM0378  CL109 HCT 116 C354(0.71); C191(0.91); C234(1.07)  LDD0695  [17]
 LDCM0379  CL11 HCT 116 C354(0.38); C191(0.87); C234(1.22)  LDD0696  [17]
 LDCM0380  CL110 HCT 116 C354(0.68); C191(0.95); C234(1.18)  LDD0697  [17]
 LDCM0381  CL111 HCT 116 C191(0.75); C354(0.77); C234(1.17)  LDD0698  [17]
 LDCM0382  CL112 HCT 116 C191(0.83); C234(1.11); C354(1.35)  LDD0699  [17]
 LDCM0383  CL113 HCT 116 C191(0.64); C354(1.00); C234(1.31)  LDD0700  [17]
 LDCM0384  CL114 HCT 116 C191(0.61); C354(1.06); C234(1.07)  LDD0701  [17]
 LDCM0385  CL115 HCT 116 C191(0.64); C354(1.03); C234(1.20)  LDD0702  [17]
 LDCM0386  CL116 HCT 116 C191(0.63); C354(0.91); C234(1.23)  LDD0703  [17]
 LDCM0387  CL117 HCT 116 C191(1.02); C234(1.40)  LDD0704  [17]
 LDCM0388  CL118 HCT 116 C191(0.88); C234(1.14)  LDD0705  [17]
 LDCM0389  CL119 HCT 116 C191(0.99); C234(1.18)  LDD0706  [17]
 LDCM0390  CL12 HCT 116 C354(0.34); C191(0.83); C234(1.19)  LDD0707  [17]
 LDCM0391  CL120 HCT 116 C191(0.93); C234(1.14)  LDD0708  [17]
 LDCM0392  CL121 HCT 116 C234(0.97); C191(1.23)  LDD0709  [17]
 LDCM0393  CL122 HCT 116 C191(0.80); C234(1.08)  LDD0710  [17]
 LDCM0394  CL123 HCT 116 C191(0.72); C234(1.01)  LDD0711  [17]
 LDCM0395  CL124 HCT 116 C191(0.75); C234(1.09)  LDD0712  [17]
 LDCM0396  CL125 HCT 116 C191(0.61); C234(1.07); C354(1.12)  LDD0713  [17]
 LDCM0397  CL126 HCT 116 C191(0.57); C354(1.07); C234(1.21)  LDD0714  [17]
 LDCM0398  CL127 HCT 116 C191(0.60); C234(1.19); C354(1.28)  LDD0715  [17]
 LDCM0399  CL128 HCT 116 C191(0.63); C354(1.20); C234(1.30)  LDD0716  [17]
 LDCM0400  CL13 HCT 116 C354(0.47); C191(0.80); C234(1.29)  LDD0717  [17]
 LDCM0401  CL14 HCT 116 C354(0.85); C191(0.97); C234(0.98)  LDD0718  [17]
 LDCM0402  CL15 HCT 116 C354(0.49); C191(0.88); C234(1.03)  LDD0719  [17]
 LDCM0403  CL16 HCT 116 C354(0.65); C191(0.76); C234(1.10)  LDD0720  [17]
 LDCM0404  CL17 HCT 116 C354(0.42); C191(1.00); C234(1.00)  LDD0721  [17]
 LDCM0405  CL18 HCT 116 C354(0.36); C191(0.69); C234(1.04)  LDD0722  [17]
 LDCM0406  CL19 HCT 116 C354(0.50); C191(0.79); C234(1.14)  LDD0723  [17]
 LDCM0407  CL2 HCT 116 C234(0.96); C191(1.19); C354(1.53)  LDD0724  [17]
 LDCM0408  CL20 HCT 116 C354(0.47); C191(0.71); C234(1.22)  LDD0725  [17]
 LDCM0409  CL21 HCT 116 C354(0.38); C191(0.69); C234(1.14)  LDD0726  [17]
 LDCM0410  CL22 HCT 116 C354(0.34); C191(0.64); C234(1.48)  LDD0727  [17]
 LDCM0411  CL23 HCT 116 C354(0.47); C191(0.78); C234(1.13)  LDD0728  [17]
 LDCM0412  CL24 HCT 116 C354(0.31); C191(0.57); C234(1.21)  LDD0729  [17]
 LDCM0413  CL25 HCT 116 C191(0.55); C234(1.18); C354(0.30)  LDD0730  [17]
 LDCM0414  CL26 HCT 116 C191(0.64); C234(1.15); C354(0.57)  LDD0731  [17]
 LDCM0415  CL27 HCT 116 C191(0.77); C234(1.19); C354(0.54)  LDD0732  [17]
 LDCM0416  CL28 HCT 116 C191(0.56); C234(1.17); C354(0.41)  LDD0733  [17]
 LDCM0417  CL29 HCT 116 C191(0.64); C234(1.28); C354(0.58)  LDD0734  [17]
 LDCM0418  CL3 HCT 116 C191(1.15); C234(1.00); C354(0.63)  LDD0735  [17]
 LDCM0419  CL30 HCT 116 C191(0.68); C234(1.09); C354(0.52)  LDD0736  [17]
 LDCM0420  CL31 HCT 116 C191(0.78); C234(1.01); C354(1.03)  LDD0737  [17]
 LDCM0421  CL32 HCT 116 C191(0.58); C234(1.11); C354(0.92)  LDD0738  [17]
 LDCM0422  CL33 HCT 116 C191(0.62); C234(1.18); C354(0.92)  LDD0739  [17]
 LDCM0423  CL34 HCT 116 C191(0.56); C234(1.10); C354(0.58)  LDD0740  [17]
 LDCM0424  CL35 HCT 116 C191(0.62); C234(1.04); C354(0.74)  LDD0741  [17]
 LDCM0425  CL36 HCT 116 C191(0.69); C234(1.12); C354(0.61)  LDD0742  [17]
 LDCM0426  CL37 HCT 116 C191(0.64); C234(1.05); C354(1.27)  LDD0743  [17]
 LDCM0428  CL39 HCT 116 C191(0.66); C234(1.13); C354(0.94)  LDD0745  [17]
 LDCM0429  CL4 HCT 116 C191(1.03); C234(0.93); C354(0.66)  LDD0746  [17]
 LDCM0430  CL40 HCT 116 C191(0.67); C234(1.15); C354(0.78)  LDD0747  [17]
 LDCM0431  CL41 HCT 116 C191(0.72); C234(0.97); C354(0.99)  LDD0748  [17]
 LDCM0432  CL42 HCT 116 C191(0.74); C234(1.27); C354(0.96)  LDD0749  [17]
 LDCM0433  CL43 HCT 116 C191(0.61); C234(1.07); C354(0.87)  LDD0750  [17]
 LDCM0434  CL44 HCT 116 C191(0.63); C234(1.11); C354(0.95)  LDD0751  [17]
 LDCM0435  CL45 HCT 116 C191(0.59); C234(1.10); C354(0.65)  LDD0752  [17]
 LDCM0436  CL46 HCT 116 C191(1.14); C234(0.94)  LDD0753  [17]
 LDCM0437  CL47 HCT 116 C191(1.25); C234(0.93)  LDD0754  [17]
 LDCM0438  CL48 HCT 116 C191(1.24); C234(0.86)  LDD0755  [17]
 LDCM0439  CL49 HCT 116 C191(1.20); C234(0.87)  LDD0756  [17]
 LDCM0440  CL5 HCT 116 C191(1.14); C234(0.98); C354(0.88)  LDD0757  [17]
 LDCM0441  CL50 HCT 116 C191(1.17); C234(0.83)  LDD0758  [17]
 LDCM0442  CL51 HCT 116 C191(1.23); C234(0.89)  LDD0759  [17]
 LDCM0443  CL52 HCT 116 C191(1.02); C234(0.90)  LDD0760  [17]
 LDCM0444  CL53 HCT 116 C191(1.35); C234(0.77)  LDD0761  [17]
 LDCM0445  CL54 HCT 116 C191(1.20); C234(0.83)  LDD0762  [17]
 LDCM0446  CL55 HCT 116 C191(1.31); C234(0.82)  LDD0763  [17]
 LDCM0447  CL56 HCT 116 C191(1.09); C234(0.98)  LDD0764  [17]
 LDCM0448  CL57 HCT 116 C191(1.15); C234(0.87)  LDD0765  [17]
 LDCM0449  CL58 HCT 116 C191(1.26); C234(0.85)  LDD0766  [17]
 LDCM0450  CL59 HCT 116 C191(1.30); C234(0.92)  LDD0767  [17]
 LDCM0451  CL6 HCT 116 C191(0.78); C234(1.01); C354(0.43)  LDD0768  [17]
 LDCM0452  CL60 HCT 116 C191(1.17); C234(0.92)  LDD0769  [17]
 LDCM0453  CL61 HCT 116 C191(0.87); C234(1.11)  LDD0770  [17]
 LDCM0454  CL62 HCT 116 C191(0.81); C234(1.16)  LDD0771  [17]
 LDCM0455  CL63 HCT 116 C191(0.80); C234(1.20)  LDD0772  [17]
 LDCM0456  CL64 HCT 116 C191(0.82); C234(1.19)  LDD0773  [17]
 LDCM0457  CL65 HCT 116 C191(0.92); C234(1.16)  LDD0774  [17]
 LDCM0458  CL66 HCT 116 C191(0.74); C234(1.37)  LDD0775  [17]
 LDCM0459  CL67 HCT 116 C191(0.85); C234(1.20)  LDD0776  [17]
 LDCM0460  CL68 HCT 116 C191(0.90); C234(1.16)  LDD0777  [17]
 LDCM0461  CL69 HCT 116 C191(0.65); C234(1.05)  LDD0778  [17]
 LDCM0462  CL7 HCT 116 C191(0.83); C234(1.15); C354(0.39)  LDD0779  [17]
 LDCM0463  CL70 HCT 116 C191(0.69); C234(1.16)  LDD0780  [17]
 LDCM0464  CL71 HCT 116 C191(0.79); C234(1.23)  LDD0781  [17]
 LDCM0465  CL72 HCT 116 C191(0.83); C234(1.04)  LDD0782  [17]
 LDCM0466  CL73 HCT 116 C191(0.82); C234(1.08)  LDD0783  [17]
 LDCM0467  CL74 HCT 116 C191(0.78); C234(1.13)  LDD0784  [17]
 LDCM0469  CL76 HCT 116 C191(0.78); C234(1.06)  LDD0786  [17]
 LDCM0470  CL77 HCT 116 C191(1.00); C234(1.03)  LDD0787  [17]
 LDCM0471  CL78 HCT 116 C191(0.86); C234(1.17)  LDD0788  [17]
 LDCM0472  CL79 HCT 116 C191(0.78); C234(1.19)  LDD0789  [17]
 LDCM0473  CL8 HCT 116 C191(0.73); C234(1.17); C354(0.34)  LDD0790  [17]
 LDCM0474  CL80 HCT 116 C191(0.75); C234(1.09)  LDD0791  [17]
 LDCM0475  CL81 HCT 116 C191(0.93); C234(1.19)  LDD0792  [17]
 LDCM0476  CL82 HCT 116 C191(0.79); C234(1.35)  LDD0793  [17]
 LDCM0477  CL83 HCT 116 C191(0.77); C234(1.25)  LDD0794  [17]
 LDCM0478  CL84 HCT 116 C191(0.68); C234(1.39)  LDD0795  [17]
 LDCM0479  CL85 HCT 116 C191(0.86); C234(1.21)  LDD0796  [17]
 LDCM0480  CL86 HCT 116 C191(1.07); C234(1.21)  LDD0797  [17]
 LDCM0481  CL87 HCT 116 C191(0.91); C234(1.16)  LDD0798  [17]
 LDCM0482  CL88 HCT 116 C191(0.77); C234(1.24)  LDD0799  [17]
 LDCM0483  CL89 HCT 116 C191(0.77); C234(1.55)  LDD0800  [17]
 LDCM0484  CL9 HCT 116 C191(0.93); C234(1.13); C354(0.54)  LDD0801  [17]
 LDCM0485  CL90 HCT 116 C191(1.16); C234(1.03)  LDD0802  [17]
 LDCM0486  CL91 HCT 116 C191(0.72); C234(1.13); C354(0.67)  LDD0803  [17]
 LDCM0487  CL92 HCT 116 C191(0.92); C234(1.15); C354(0.93)  LDD0804  [17]
 LDCM0488  CL93 HCT 116 C191(0.91); C234(1.10); C354(0.81)  LDD0805  [17]
 LDCM0489  CL94 HCT 116 C191(0.97); C234(0.94); C354(1.14)  LDD0806  [17]
 LDCM0490  CL95 HCT 116 C191(0.73); C234(1.11); C354(0.72)  LDD0807  [17]
 LDCM0491  CL96 HCT 116 C191(0.77); C234(1.18); C354(0.83)  LDD0808  [17]
 LDCM0492  CL97 HCT 116 C191(0.73); C234(1.14); C354(0.74)  LDD0809  [17]
 LDCM0493  CL98 HCT 116 C191(0.71); C234(1.23); C354(0.79)  LDD0810  [17]
 LDCM0494  CL99 HCT 116 C191(0.76); C234(1.23); C354(0.75)  LDD0811  [17]
 LDCM0495  E2913 HEK-293T C191(1.15); C234(1.01); C320(1.07)  LDD1698  [40]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C354(1.24); C234(1.00); C191(0.93); C89(0.87)  LDD1702  [7]
 LDCM0625  F8 Ramos C234(0.80); C191(0.84); C354(1.63)  LDD2187  [41]
 LDCM0572  Fragment10 Ramos C234(0.77); C191(0.65)  LDD2189  [41]
 LDCM0573  Fragment11 Ramos C234(0.05); C191(0.87); C354(1.83)  LDD2190  [41]
 LDCM0574  Fragment12 Ramos C234(0.73); C191(0.89)  LDD2191  [41]
 LDCM0575  Fragment13 Ramos C234(1.00); C191(1.07)  LDD2192  [41]
 LDCM0576  Fragment14 Ramos C234(0.54); C191(0.56); C354(0.67)  LDD2193  [41]
 LDCM0579  Fragment20 Ramos C234(0.72); C191(0.83)  LDD2194  [41]
 LDCM0580  Fragment21 Ramos C234(0.86); C191(1.33)  LDD2195  [41]
 LDCM0582  Fragment23 Ramos C234(0.89); C191(1.20)  LDD2196  [41]
 LDCM0578  Fragment27 Ramos C234(0.82); C191(0.97)  LDD2197  [41]
 LDCM0586  Fragment28 Ramos C234(2.51); C191(0.38); C354(0.43)  LDD2198  [41]
 LDCM0588  Fragment30 Ramos C234(1.04); C191(0.95)  LDD2199  [41]
 LDCM0589  Fragment31 Ramos C234(0.90); C191(1.08)  LDD2200  [41]
 LDCM0590  Fragment32 Ramos C234(0.96); C191(0.62)  LDD2201  [41]
 LDCM0468  Fragment33 HCT 116 C191(0.91); C234(1.12)  LDD0785  [17]
 LDCM0596  Fragment38 Ramos C234(1.09); C191(0.86)  LDD2203  [41]
 LDCM0566  Fragment4 Ramos C234(1.30); C191(1.40); C354(1.13)  LDD2184  [41]
 LDCM0427  Fragment51 HCT 116 C191(0.61); C234(1.16); C354(0.68)  LDD0744  [17]
 LDCM0610  Fragment52 Ramos C234(0.82); C191(0.92)  LDD2204  [41]
 LDCM0614  Fragment56 Ramos C234(1.00); C191(1.04)  LDD2205  [41]
 LDCM0569  Fragment7 Ramos C234(0.84); C191(1.25); C354(1.03)  LDD2186  [41]
 LDCM0571  Fragment9 Ramos C234(0.68); C191(0.58)  LDD2188  [41]
 LDCM0116  HHS-0101 DM93 Y518(0.90)  LDD0264  [15]
 LDCM0117  HHS-0201 DM93 Y518(0.66)  LDD0265  [15]
 LDCM0118  HHS-0301 DM93 Y518(0.83)  LDD0266  [15]
 LDCM0119  HHS-0401 DM93 Y518(0.75)  LDD0267  [15]
 LDCM0120  HHS-0701 DM93 Y518(0.97)  LDD0268  [15]
 LDCM0173  HM30181 Hep-G2 1.50  LDD0438  [37]
 LDCM0107  IAA HeLa H427(0.00); C234(0.00); C191(0.00); H62(0.00)  LDD0221  [33]
 LDCM0022  KB02 HCT 116 C191(1.86); C234(1.34)  LDD0080  [17]
 LDCM0023  KB03 HCT 116 C191(2.97); C234(1.20)  LDD0081  [17]
 LDCM0024  KB05 HCT 116 C191(3.02); C234(1.35)  LDD0082  [17]
 LDCM0509  N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide MDA-MB-231 C354(0.56); C89(0.75)  LDD2102  [7]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C354(0.54); C89(0.45)  LDD2121  [7]
 LDCM0109  NEM HeLa H427(0.00); H62(0.00); C234(0.00); H155(0.00)  LDD0223  [33]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C354(0.53); C89(0.40); C234(1.09)  LDD2089  [7]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C354(0.80); C89(0.90)  LDD2092  [7]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C354(0.81); C89(0.94)  LDD2093  [7]
 LDCM0501  Nucleophilic fragment 13b MDA-MB-231 C354(1.06); C89(1.11)  LDD2094  [7]
 LDCM0503  Nucleophilic fragment 14b MDA-MB-231 C354(0.51); C89(0.90)  LDD2096  [7]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C354(1.04); C89(0.79)  LDD2097  [7]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C89(0.39)  LDD2098  [7]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C354(1.11); C89(0.83)  LDD2099  [7]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C354(0.74); C89(0.44); C234(0.73); C191(0.69)  LDD2100  [7]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C354(0.79); C89(0.91)  LDD2101  [7]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C354(0.70); C89(0.66); C234(0.70); C191(0.63)  LDD2104  [7]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C354(0.92); C89(1.14)  LDD2105  [7]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C354(0.59); C234(0.77); C191(0.47)  LDD2106  [7]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C354(1.35); C89(0.89)  LDD2107  [7]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C354(0.88); C89(0.49); C234(0.68); C191(0.67)  LDD2108  [7]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C354(0.68); C89(0.63); C191(0.88)  LDD2109  [7]
 LDCM0517  Nucleophilic fragment 21b MDA-MB-231 C354(0.79); C234(1.39); C191(0.68)  LDD2110  [7]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C354(1.05); C89(0.95)  LDD2111  [7]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C354(0.63); C89(0.89); C234(0.77); C191(0.66)  LDD2114  [7]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C354(0.52); C89(0.53)  LDD2115  [7]
 LDCM0523  Nucleophilic fragment 24b MDA-MB-231 C354(0.71); C89(1.23)  LDD2116  [7]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C354(0.90); C89(1.38)  LDD2118  [7]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C354(1.91); C89(2.11)  LDD2119  [7]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C354(0.86); C89(0.73)  LDD2120  [7]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C354(0.87); C89(1.11)  LDD2122  [7]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C354(0.99); C89(0.79); C191(0.89)  LDD2123  [7]
 LDCM0531  Nucleophilic fragment 28b MDA-MB-231 C354(0.83); C89(1.40)  LDD2124  [7]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C354(0.91); C89(0.70)  LDD2125  [7]
 LDCM0533  Nucleophilic fragment 29b MDA-MB-231 C354(0.75); C89(1.55)  LDD2126  [7]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C354(1.35); C89(0.89); C191(1.34)  LDD2127  [7]
 LDCM0535  Nucleophilic fragment 30b MDA-MB-231 C354(0.99); C89(0.95)  LDD2128  [7]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C354(1.04); C89(1.03)  LDD2129  [7]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C354(0.43); C89(0.56)  LDD2133  [7]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C354(0.55); C89(0.49)  LDD2134  [7]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C354(1.20); C89(1.22)  LDD2135  [7]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C354(1.32); C89(0.95); C191(1.49)  LDD2136  [7]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C354(0.91); C89(0.87)  LDD2137  [7]
 LDCM0211  Nucleophilic fragment 3b MDA-MB-231 C354(1.49); C89(1.24)  LDD1700  [7]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C354(0.93); C89(0.63)  LDD2140  [7]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C89(0.39); C234(0.57); C191(0.74)  LDD2141  [7]
 LDCM0549  Nucleophilic fragment 43 MDA-MB-231 C354(1.00); C89(1.02)  LDD2143  [7]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C354(1.81); C89(2.40)  LDD2144  [7]
 LDCM0551  Nucleophilic fragment 5b MDA-MB-231 C234(7.30); C191(1.26)  LDD2145  [7]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C354(0.84); C89(0.78)  LDD2146  [7]
 LDCM0553  Nucleophilic fragment 6b MDA-MB-231 C354(4.53); C89(3.72)  LDD2147  [7]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C354(0.39); C89(0.50)  LDD2148  [7]
 LDCM0555  Nucleophilic fragment 7b MDA-MB-231 C354(0.87)  LDD2149  [7]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C354(0.41); C89(0.32)  LDD2150  [7]
 LDCM0557  Nucleophilic fragment 8b MDA-MB-231 C354(0.77); C89(1.31)  LDD2151  [7]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C354(1.34)  LDD2153  [7]
 LDCM0627  NUDT7-COV-1 HEK-293T C234(0.92)  LDD2206  [42]
 LDCM0628  OTUB2-COV-1 HEK-293T C234(0.68)  LDD2207  [42]
 LDCM0131  RA190 MM1.R C234(1.39)  LDD0304  [43]
 LDCM0021  THZ1 HeLa S3 C234(1.11); C221(1.02)  LDD0460  [12]
 LDCM0110  W12 Hep-G2 C234(1.95)  LDD0237  [34]
 LDCM0111  W14 Hep-G2 S147(0.50); C234(2.29)  LDD0238  [34]
 LDCM0113  W17 Hep-G2 C234(0.68)  LDD0240  [34]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 8 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Probable ATP-dependent RNA helicase DDX17 (DDX17) DEAD box helicase family Q92841
Histone deacetylase 1 (HDAC1) Histone deacetylase family Q13547
rRNA 2'-O-methyltransferase fibrillarin (FBL) Fibrillarin family P22087
Ribonuclease 3 (DROSHA) Ribonuclease III family Q9NRR4
DNA-directed RNA polymerase II subunit RPB1 (POLR2A) RNA polymerase beta' chain family P24928
Chromodomain-helicase-DNA-binding protein 3 (CHD3) SNF2/RAD54 helicase family Q12873
Exosome complex component 10 (EXOSC10) . Q01780
Histone acetyltransferase p300 (EP300) . Q09472
Transporter and channel
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Cellular tumor antigen p53 (TP53) P53 family P04637
Transcription factor
Click To Hide/Show 4 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Mothers against decapentaplegic homolog 1 (SMAD1) Dwarfin/SMAD family Q15797
Mothers against decapentaplegic homolog 3 (SMAD3) Dwarfin/SMAD family P84022
Mothers against decapentaplegic homolog 5 (SMAD5) Dwarfin/SMAD family Q99717
Nuclear factor of activated T-cells 5 (NFAT5) . O94916
Other
Click To Hide/Show 3 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Splicing factor 1 (SF1) BBP/SF1 family Q15637
Methyl-CpG-binding domain protein 3 (MBD3) . O95983
TAR DNA-binding protein 43 (TARDBP) . Q13148

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
Artenimol . DB11638
Phase 2
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Rx-5902 . D0S1TI

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 Comparison of Different Competitive Proteome Profiling Approaches in Target Identification of Covalent Inhibitors. Chembiochem. 2022 Dec 16;23(24):e202200389. doi: 10.1002/cbic.202200389. Epub 2022 Nov 22.
3 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
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 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 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
8 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
9 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
10 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.
11 Minimalist linkers suitable for irreversible inhibitors in simultaneous proteome profiling, live-cell imaging and drug screening. Chem Commun (Camb). 2019 Jan 15;55(6):834-837. doi: 10.1039/c8cc08685k.
12 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.
13 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.
14 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
15 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.
16 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.
17 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.
18 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
19 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.
20 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
21 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
22 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
23 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
24 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
25 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
26 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
27 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
28 Site-Specific Activity-Based Protein Profiling Using Phosphonate Handles. Mol Cell Proteomics. 2023 Jan;22(1):100455. doi: 10.1016/j.mcpro.2022.100455. Epub 2022 Nov 24.
Mass spectrometry data entry: PXD036569
29 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
30 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
31 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
32 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.
33 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.
34 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.
35 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.
36 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.
37 Affinity-Based Protein Profiling Reveals Cellular Targets of Photoreactive Anticancer Inhibitors. ACS Chem Biol. 2019 Dec 20;14(12):2546-2552. doi: 10.1021/acschembio.9b00784. Epub 2019 Nov 26.
38 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.
39 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.
40 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
41 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
42 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.
43 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.