Details of the Target

General Information of Target

Target ID LDTP02596
Target Name Proliferating cell nuclear antigen (PCNA)
Gene Name PCNA
Gene ID 5111
Synonyms
Proliferating cell nuclear antigen; PCNA; Cyclin
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MFEARLVQGSILKKVLEALKDLINEACWDISSSGVNLQSMDSSHVSLVQLTLRSEGFDTY
RCDRNLAMGVNLTSMSKILKCAGNEDIITLRAEDNADTLALVFEAPNQEKVSDYEMKLMD
LDVEQLGIPEQEYSCVVKMPSGEFARICRDLSHIGDAVVISCAKDGVKFSASGELGNGNI
KLSQTSNVDKEEEAVTIEMNEPVQLTFALRYLNFFTKATPLSSTVTLSMSADVPLVVEYK
IADMGHLKYYLAPKIEDEEGS
Target Type
Clinical trial
Target Bioclass
Other
Family
PCNA family
Subcellular location
Nucleus
Function
Auxiliary protein of DNA polymerase delta and epsilon, is involved in the control of eukaryotic DNA replication by increasing the polymerase's processibility during elongation of the leading strand. Induces a robust stimulatory effect on the 3'-5' exonuclease and 3'-phosphodiesterase, but not apurinic-apyrimidinic (AP) endonuclease, APEX2 activities. Has to be loaded onto DNA in order to be able to stimulate APEX2. Plays a key role in DNA damage response (DDR) by being conveniently positioned at the replication fork to coordinate DNA replication with DNA repair and DNA damage tolerance pathways. Acts as a loading platform to recruit DDR proteins that allow completion of DNA replication after DNA damage and promote postreplication repair: Monoubiquitinated PCNA leads to recruitment of translesion (TLS) polymerases, while 'Lys-63'-linked polyubiquitination of PCNA is involved in error-free pathway and employs recombination mechanisms to synthesize across the lesion.
TTD ID
T21782
Uniprot ID
P12004
DrugMap ID
TTLG1PD
Ensemble ID
ENST00000379143.10
HGNC ID
HGNC:8729
ChEMBL ID
CHEMBL2346488

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 51 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
m-APA
 Probe Info  		13.95  LDD0402  [1]
A-EBA
 Probe Info  		3.92  LDD0215  [2]
CY-1
 Probe Info  		100.00  LDD0243  [3]
N1
 Probe Info  		100.00  LDD0242  [3]
TH211
 Probe Info  		Y114(14.06); Y60(12.42); Y249(9.16); Y133(7.84)  LDD0257  [4]
TH214
 Probe Info  		Y249(10.77)  LDD0258  [4]
TH216
 Probe Info  		Y114(19.70); Y249(12.50); Y211(7.75)  LDD0259  [4]
YN-1
 Probe Info  		100.00  LDD0444  [5]
YN-4
 Probe Info  		100.00  LDD0445  [5]
AZ-9
 Probe Info  		E93(1.22)  LDD2208  [6]
ONAyne
 Probe Info  		K168(6.67)  LDD0275  [7]
OPA-S-S-alkyne
 Probe Info  		K254(1.56)  LDD3494  [8]
Probe 1
 Probe Info  		Y60(17.14); Y114(75.94); Y211(34.02); Y250(82.86)  LDD3495  [9]
JZ128-DTB
 Probe Info  		C135(0.00); C162(0.00)  LDD0462  [10]
THZ1-DTB
 Probe Info  		C135(1.06)  LDD0460  [10]
AHL-Pu-1
 Probe Info  		C81(2.85)  LDD0170  [11]
EA-probe
 Probe Info  		C81(0.92)  LDD2210  [12]
HHS-482
 Probe Info  		Y211(1.51); Y249(0.68)  LDD0285  [13]
HHS-475
 Probe Info  		Y211(1.00)  LDD0264  [14]
HHS-465
 Probe Info  		Y133(9.07); Y211(2.15); Y249(10.00)  LDD2237  [15]
DBIA
 Probe Info  		C81(1.01)  LDD0080  [16]
5E-2FA
 Probe Info  		N.A.  LDD2235  [17]
ATP probe
 Probe Info  		K80(0.00); K164(0.00); K248(0.00); K77(0.00)  LDD0199  [18]
4-Iodoacetamidophenylacetylene
 Probe Info  		C81(0.00); C62(0.00); C27(0.00); C162(0.00)  LDD0038  [19]
IA-alkyne
 Probe Info  		C135(0.00); C62(0.00); C162(0.00); C81(0.00)  LDD0032  [20]
IPIAA_H
 Probe Info  		C162(0.00); C81(0.00)  LDD0030  [21]
IPIAA_L
 Probe Info  		C162(0.00); C81(0.00)  LDD0031  [21]
Lodoacetamide azide
 Probe Info  		C81(0.00); C62(0.00); C27(0.00); C162(0.00)  LDD0037  [19]
BTD
 Probe Info  		N.A.  LDD0004  [22]
JW-RF-010
 Probe Info  		C162(0.00); C62(0.00); C81(0.00); C135(0.00)  LDD0026  [23]
NAIA_4
 Probe Info  		C81(0.00); C162(0.00)  LDD2226  [24]
TFBX
 Probe Info  		C135(0.00); C162(0.00); C62(0.00); C81(0.00)  LDD0027  [23]
WYneN
 Probe Info  		N.A.  LDD0021  [22]
WYneO
 Probe Info  		N.A.  LDD0022  [22]
Compound 10
 Probe Info  		C162(0.00); C81(0.00)  LDD2216  [25]
Compound 11
 Probe Info  		N.A.  LDD2213  [25]
ENE
 Probe Info  		N.A.  LDD0006  [22]
IPM
 Probe Info  		C81(0.00); C162(0.00)  LDD0005  [22]
NPM
 Probe Info  		N.A.  LDD0016  [22]
PF-06672131
 Probe Info  		C62(0.00); C81(0.00)  LDD0152  [26]
SF
 Probe Info  		K13(0.00); K14(0.00); Y211(0.00)  LDD0028  [27]
STPyne
 Probe Info  		N.A.  LDD0009  [22]
VSF
 Probe Info  		C162(0.00); C81(0.00)  LDD0007  [22]
Phosphinate-6
 Probe Info  		C62(0.00); C81(0.00); C162(0.00)  LDD0018  [28]
1c-yne
 Probe Info  		K181(0.00); K110(0.00); K138(0.00); K117(0.00)  LDD0228  [29]
Acrolein
 Probe Info  		C162(0.00); C135(0.00); H153(0.00); C81(0.00)  LDD0217  [30]
Crotonaldehyde
 Probe Info  		N.A.  LDD0219  [30]
Methacrolein
 Probe Info  		C162(0.00); H153(0.00)  LDD0218  [30]
W1
 Probe Info  		N.A.  LDD0236  [31]
AOyne
 Probe Info  		11.00  LDD0443  [32]
NAIA_5
 Probe Info  		C81(0.00); C62(0.00); C162(0.00); C148(0.00)  LDD2223  [24]
PAL-AfBPP Probe
Click To Hide/Show 6 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
FFF probe11
 Probe Info  		15.13  LDD0471  [33]
FFF probe14
 Probe Info  		7.82  LDD0477  [33]
VE-P
 Probe Info  		N.A.  LDD0396  [34]
LD-F
 Probe Info  		G127(0.00); V123(0.00); E124(0.00)  LDD0015  [35]
DA-2
 Probe Info  		N.A.  LDD0070  [36]
STS-1
 Probe Info  		N.A.  LDD0068  [37]

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 C62(0.72)  LDD2142  [38]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C162(0.93); C62(0.92)  LDD2112  [38]
 LDCM0502  1-(Cyanoacetyl)piperidine MDA-MB-231 C162(0.97); C62(0.84); C81(0.73)  LDD2095  [38]
 LDCM0537  2-Cyano-N,N-dimethylacetamide MDA-MB-231 C81(0.83)  LDD2130  [38]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C162(1.10); C62(1.33); C81(1.23)  LDD2117  [38]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C162(1.33); C62(1.71)  LDD2152  [38]
 LDCM0510  3-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-3-oxopropanenitrile MDA-MB-231 C62(0.67)  LDD2103  [38]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C162(0.46); C62(0.57)  LDD2132  [38]
 LDCM0538  4-(Cyanoacetyl)morpholine MDA-MB-231 C62(0.58); C81(0.80)  LDD2131  [38]
 LDCM0025  4SU-RNA DM93 C81(2.85)  LDD0170  [11]
 LDCM0214  AC1 HCT 116 C162(0.91); C81(1.11)  LDD0531  [16]
 LDCM0215  AC10 HCT 116 C162(1.02); C81(1.36)  LDD0532  [16]
 LDCM0216  AC100 HCT 116 C162(1.22); C81(1.27)  LDD0533  [16]
 LDCM0217  AC101 HCT 116 C162(0.91); C81(1.12)  LDD0534  [16]
 LDCM0218  AC102 HCT 116 C162(0.87); C81(1.14)  LDD0535  [16]
 LDCM0219  AC103 HCT 116 C162(0.85); C81(1.14)  LDD0536  [16]
 LDCM0220  AC104 HCT 116 C162(0.85); C81(1.13)  LDD0537  [16]
 LDCM0221  AC105 HCT 116 C162(0.81); C81(1.26)  LDD0538  [16]
 LDCM0222  AC106 HCT 116 C162(0.85); C81(1.34)  LDD0539  [16]
 LDCM0223  AC107 HCT 116 C162(0.95); C81(1.18)  LDD0540  [16]
 LDCM0224  AC108 HCT 116 C162(0.75); C81(1.20)  LDD0541  [16]
 LDCM0225  AC109 HCT 116 C162(0.81); C81(0.94)  LDD0542  [16]
 LDCM0226  AC11 HCT 116 C162(1.01); C81(1.03)  LDD0543  [16]
 LDCM0227  AC110 HCT 116 C162(0.85); C81(1.30)  LDD0544  [16]
 LDCM0228  AC111 HCT 116 C162(0.79); C81(1.43)  LDD0545  [16]
 LDCM0229  AC112 HCT 116 C162(0.86); C81(1.24)  LDD0546  [16]
 LDCM0230  AC113 HCT 116 C81(1.12)  LDD0547  [16]
 LDCM0231  AC114 HCT 116 C81(1.13)  LDD0548  [16]
 LDCM0232  AC115 HCT 116 C81(1.24)  LDD0549  [16]
 LDCM0233  AC116 HCT 116 C81(1.05)  LDD0550  [16]
 LDCM0234  AC117 HCT 116 C81(1.13)  LDD0551  [16]
 LDCM0235  AC118 HCT 116 C81(1.16)  LDD0552  [16]
 LDCM0236  AC119 HCT 116 C81(1.29)  LDD0553  [16]
 LDCM0237  AC12 HCT 116 C162(0.90); C81(0.94)  LDD0554  [16]
 LDCM0238  AC120 HCT 116 C81(0.97)  LDD0555  [16]
 LDCM0239  AC121 HCT 116 C81(1.15)  LDD0556  [16]
 LDCM0240  AC122 HCT 116 C81(1.16)  LDD0557  [16]
 LDCM0241  AC123 HCT 116 C81(1.15)  LDD0558  [16]
 LDCM0242  AC124 HCT 116 C81(1.04)  LDD0559  [16]
 LDCM0243  AC125 HCT 116 C81(1.10)  LDD0560  [16]
 LDCM0244  AC126 HCT 116 C81(1.23)  LDD0561  [16]
 LDCM0245  AC127 HCT 116 C81(1.05)  LDD0562  [16]
 LDCM0246  AC128 HCT 116 C162(0.69); C81(1.10)  LDD0563  [16]
 LDCM0247  AC129 HCT 116 C162(0.88); C81(1.18)  LDD0564  [16]
 LDCM0249  AC130 HCT 116 C162(1.02); C81(1.17)  LDD0566  [16]
 LDCM0250  AC131 HCT 116 C162(1.21); C81(1.05)  LDD0567  [16]
 LDCM0251  AC132 HCT 116 C162(0.81); C81(1.26)  LDD0568  [16]
 LDCM0252  AC133 HCT 116 C162(0.80); C81(1.22)  LDD0569  [16]
 LDCM0253  AC134 HCT 116 C162(0.82); C81(1.04)  LDD0570  [16]
 LDCM0254  AC135 HCT 116 C162(0.74); C81(1.06)  LDD0571  [16]
 LDCM0255  AC136 HCT 116 C162(0.78); C81(1.15)  LDD0572  [16]
 LDCM0256  AC137 HCT 116 C162(0.81); C81(1.15)  LDD0573  [16]
 LDCM0257  AC138 HCT 116 C162(0.76); C81(1.24)  LDD0574  [16]
 LDCM0258  AC139 HCT 116 C162(0.80); C81(1.22)  LDD0575  [16]
 LDCM0259  AC14 HCT 116 C162(1.22); C81(0.97)  LDD0576  [16]
 LDCM0260  AC140 HCT 116 C162(0.72); C81(1.28)  LDD0577  [16]
 LDCM0261  AC141 HCT 116 C162(0.80); C81(1.46)  LDD0578  [16]
 LDCM0262  AC142 HCT 116 C162(0.79); C81(1.19)  LDD0579  [16]
 LDCM0263  AC143 HCT 116 C162(0.91); C81(1.05)  LDD0580  [16]
 LDCM0264  AC144 HCT 116 C81(1.13); C162(1.18)  LDD0581  [16]
 LDCM0265  AC145 HCT 116 C81(0.92); C162(1.00)  LDD0582  [16]
 LDCM0266  AC146 HCT 116 C162(0.94); C81(1.05)  LDD0583  [16]
 LDCM0267  AC147 HCT 116 C81(1.04); C162(1.05)  LDD0584  [16]
 LDCM0268  AC148 HCT 116 C162(0.58); C81(1.04)  LDD0585  [16]
 LDCM0269  AC149 HCT 116 C162(0.95); C81(1.02)  LDD0586  [16]
 LDCM0270  AC15 HCT 116 C162(1.00); C81(1.09)  LDD0587  [16]
 LDCM0271  AC150 HCT 116 C81(0.92); C162(1.03)  LDD0588  [16]
 LDCM0272  AC151 HCT 116 C162(0.98); C81(1.09)  LDD0589  [16]
 LDCM0273  AC152 HCT 116 C162(0.90); C81(0.91)  LDD0590  [16]
 LDCM0274  AC153 HCT 116 C162(0.49); C81(0.97)  LDD0591  [16]
 LDCM0621  AC154 HCT 116 C162(1.13); C81(0.97)  LDD2158  [16]
 LDCM0622  AC155 HCT 116 C162(1.15); C81(1.03)  LDD2159  [16]
 LDCM0623  AC156 HCT 116 C162(1.24); C81(1.08)  LDD2160  [16]
 LDCM0624  AC157 HCT 116 C162(1.24); C81(0.98)  LDD2161  [16]
 LDCM0276  AC17 HCT 116 C81(1.10); C162(1.24)  LDD0593  [16]
 LDCM0277  AC18 HCT 116 C162(0.98); C81(1.07)  LDD0594  [16]
 LDCM0278  AC19 HCT 116 C81(1.02); C162(1.20)  LDD0595  [16]
 LDCM0279  AC2 HCT 116 C81(1.00); C162(1.00)  LDD0596  [16]
 LDCM0280  AC20 HCT 116 C81(1.06); C162(1.19)  LDD0597  [16]
 LDCM0281  AC21 HCT 116 C81(1.15); C162(1.17)  LDD0598  [16]
 LDCM0282  AC22 HCT 116 C162(1.07); C81(1.10)  LDD0599  [16]
 LDCM0283  AC23 HCT 116 C162(1.09); C81(1.13)  LDD0600  [16]
 LDCM0284  AC24 HCT 116 C81(1.03); C162(1.26)  LDD0601  [16]
 LDCM0285  AC25 HCT 116 C162(0.92); C81(1.07)  LDD0602  [16]
 LDCM0286  AC26 HCT 116 C162(1.03); C81(1.30)  LDD0603  [16]
 LDCM0287  AC27 HCT 116 C162(1.04); C81(1.05)  LDD0604  [16]
 LDCM0288  AC28 HCT 116 C162(0.98); C81(1.35)  LDD0605  [16]
 LDCM0289  AC29 HCT 116 C162(0.97); C81(1.53)  LDD0606  [16]
 LDCM0290  AC3 HCT 116 C162(0.86); C81(1.12)  LDD0607  [16]
 LDCM0291  AC30 HCT 116 C162(0.99); C81(1.59)  LDD0608  [16]
 LDCM0292  AC31 HCT 116 C162(1.07); C81(1.47)  LDD0609  [16]
 LDCM0293  AC32 HCT 116 C162(1.06); C81(1.54)  LDD0610  [16]
 LDCM0294  AC33 HCT 116 C162(1.03); C81(1.26)  LDD0611  [16]
 LDCM0295  AC34 HCT 116 C162(1.04); C81(1.18)  LDD0612  [16]
 LDCM0296  AC35 HCT 116 C81(0.82); C162(0.87)  LDD0613  [16]
 LDCM0297  AC36 HCT 116 C162(0.93); C81(1.26)  LDD0614  [16]
 LDCM0298  AC37 HCT 116 C162(0.90); C81(1.00)  LDD0615  [16]
 LDCM0299  AC38 HCT 116 C81(0.89); C162(0.91)  LDD0616  [16]
 LDCM0300  AC39 HCT 116 C162(0.85); C81(1.06)  LDD0617  [16]
 LDCM0301  AC4 HCT 116 C162(0.87); C81(1.19)  LDD0618  [16]
 LDCM0302  AC40 HCT 116 C162(0.78); C81(1.11)  LDD0619  [16]
 LDCM0303  AC41 HCT 116 C162(0.80); C81(0.90)  LDD0620  [16]
 LDCM0304  AC42 HCT 116 C162(0.87); C81(0.93)  LDD0621  [16]
 LDCM0305  AC43 HCT 116 C162(0.90); C81(0.97)  LDD0622  [16]
 LDCM0306  AC44 HCT 116 C162(0.75); C81(0.93)  LDD0623  [16]
 LDCM0307  AC45 HCT 116 C162(0.80); C81(1.02)  LDD0624  [16]
 LDCM0308  AC46 HCT 116 C162(1.02); C81(1.39)  LDD0625  [16]
 LDCM0309  AC47 HCT 116 C162(1.01); C81(1.24)  LDD0626  [16]
 LDCM0310  AC48 HCT 116 C162(0.96); C81(1.23)  LDD0627  [16]
 LDCM0311  AC49 HCT 116 C162(0.90); C81(1.42)  LDD0628  [16]
 LDCM0312  AC5 HCT 116 C162(0.75); C81(1.01)  LDD0629  [16]
 LDCM0313  AC50 HCT 116 C162(1.05); C81(1.27)  LDD0630  [16]
 LDCM0314  AC51 HCT 116 C162(1.05); C81(1.08)  LDD0631  [16]
 LDCM0315  AC52 HCT 116 C162(1.01); C81(1.20)  LDD0632  [16]
 LDCM0316  AC53 HCT 116 C81(1.01); C162(1.07)  LDD0633  [16]
 LDCM0317  AC54 HCT 116 C162(1.00); C81(1.13)  LDD0634  [16]
 LDCM0318  AC55 HCT 116 C162(0.92); C81(1.11)  LDD0635  [16]
 LDCM0319  AC56 HCT 116 C162(0.74); C81(1.08)  LDD0636  [16]
 LDCM0320  AC57 HCT 116 C81(1.25)  LDD0637  [16]
 LDCM0321  AC58 HCT 116 C81(1.04)  LDD0638  [16]
 LDCM0322  AC59 HCT 116 C81(1.14)  LDD0639  [16]
 LDCM0323  AC6 HCT 116 C162(0.93); C81(1.15)  LDD0640  [16]
 LDCM0324  AC60 HCT 116 C81(1.37)  LDD0641  [16]
 LDCM0325  AC61 HCT 116 C81(1.13)  LDD0642  [16]
 LDCM0326  AC62 HCT 116 C81(1.39)  LDD0643  [16]
 LDCM0327  AC63 HCT 116 C81(1.19)  LDD0644  [16]
 LDCM0328  AC64 HCT 116 C81(1.31)  LDD0645  [16]
 LDCM0329  AC65 HCT 116 C81(1.27)  LDD0646  [16]
 LDCM0330  AC66 HCT 116 C81(1.22)  LDD0647  [16]
 LDCM0331  AC67 HCT 116 C81(1.30)  LDD0648  [16]
 LDCM0332  AC68 HCT 116 C81(0.89); C162(1.00)  LDD0649  [16]
 LDCM0333  AC69 HCT 116 C81(0.76); C162(1.06)  LDD0650  [16]
 LDCM0334  AC7 HCT 116 C162(0.97); C81(1.18)  LDD0651  [16]
 LDCM0335  AC70 HCT 116 C162(0.76); C81(0.89)  LDD0652  [16]
 LDCM0336  AC71 HCT 116 C81(0.69); C162(0.96)  LDD0653  [16]
 LDCM0337  AC72 HCT 116 C81(0.85); C162(1.01)  LDD0654  [16]
 LDCM0338  AC73 HCT 116 C162(0.58); C81(0.88)  LDD0655  [16]
 LDCM0339  AC74 HCT 116 C162(0.66); C81(0.89)  LDD0656  [16]
 LDCM0340  AC75 HCT 116 C162(0.51); C81(1.07)  LDD0657  [16]
 LDCM0341  AC76 HCT 116 C162(0.77); C81(0.98)  LDD0658  [16]
 LDCM0342  AC77 HCT 116 C81(0.82); C162(0.84)  LDD0659  [16]
 LDCM0343  AC78 HCT 116 C81(0.78); C162(0.97)  LDD0660  [16]
 LDCM0344  AC79 HCT 116 C162(0.93); C81(1.04)  LDD0661  [16]
 LDCM0345  AC8 HCT 116 C162(1.00); C81(1.05)  LDD0662  [16]
 LDCM0346  AC80 HCT 116 C81(0.94); C162(0.96)  LDD0663  [16]
 LDCM0347  AC81 HCT 116 C81(0.80); C162(0.91)  LDD0664  [16]
 LDCM0348  AC82 HCT 116 C162(0.40); C81(0.84)  LDD0665  [16]
 LDCM0349  AC83 HCT 116 C162(0.78); C81(1.25)  LDD0666  [16]
 LDCM0350  AC84 HCT 116 C162(0.87); C81(1.24)  LDD0667  [16]
 LDCM0351  AC85 HCT 116 C162(0.96); C81(1.14)  LDD0668  [16]
 LDCM0352  AC86 HCT 116 C162(0.99); C81(1.27)  LDD0669  [16]
 LDCM0353  AC87 HCT 116 C162(1.02); C81(1.29)  LDD0670  [16]
 LDCM0354  AC88 HCT 116 C162(1.01); C81(1.29)  LDD0671  [16]
 LDCM0355  AC89 HCT 116 C162(0.96); C81(1.27)  LDD0672  [16]
 LDCM0357  AC90 HCT 116 C162(1.01); C81(1.52)  LDD0674  [16]
 LDCM0358  AC91 HCT 116 C162(0.78); C81(1.63)  LDD0675  [16]
 LDCM0359  AC92 HCT 116 C162(0.77); C81(1.37)  LDD0676  [16]
 LDCM0360  AC93 HCT 116 C162(0.95); C81(1.18)  LDD0677  [16]
 LDCM0361  AC94 HCT 116 C162(1.14); C81(1.15)  LDD0678  [16]
 LDCM0362  AC95 HCT 116 C162(1.10); C81(1.20)  LDD0679  [16]
 LDCM0363  AC96 HCT 116 C162(1.07); C81(1.39)  LDD0680  [16]
 LDCM0364  AC97 HCT 116 C162(0.94); C81(1.27)  LDD0681  [16]
 LDCM0365  AC98 HCT 116 C162(0.52); C81(1.22)  LDD0682  [16]
 LDCM0366  AC99 HCT 116 C162(0.84); C81(1.05)  LDD0683  [16]
 LDCM0545  Acetamide MDA-MB-231 C62(0.48)  LDD2138  [38]
 LDCM0520  AKOS000195272 MDA-MB-231 C162(0.87); C62(0.60)  LDD2113  [38]
 LDCM0248  AKOS034007472 HCT 116 C162(0.90); C81(1.15)  LDD0565  [16]
 LDCM0356  AKOS034007680 HCT 116 C162(1.09); C81(1.27)  LDD0673  [16]
 LDCM0275  AKOS034007705 HCT 116 C162(1.03); C81(1.42)  LDD0592  [16]
 LDCM0156  Aniline NCI-H1299 12.03  LDD0403  [1]
 LDCM0020  ARS-1620 HCC44 C162(0.89)  LDD2171  [16]
 LDCM0498  BS-3668 MDA-MB-231 C162(0.61); C81(0.97)  LDD2091  [38]
 LDCM0108  Chloroacetamide HeLa C162(0.00); C135(0.00); C81(0.00); H153(0.00)  LDD0222  [30]
 LDCM0632  CL-Sc Hep-G2 C81(20.00)  LDD2227  [24]
 LDCM0367  CL1 HCT 116 C162(0.85); C81(1.05)  LDD0684  [16]
 LDCM0368  CL10 HCT 116 C162(0.86); C81(1.47)  LDD0685  [16]
 LDCM0369  CL100 HCT 116 C162(0.83); C81(1.48)  LDD0686  [16]
 LDCM0370  CL101 HCT 116 C81(1.01); C162(1.06)  LDD0687  [16]
 LDCM0371  CL102 HCT 116 C81(0.98); C162(1.10)  LDD0688  [16]
 LDCM0372  CL103 HCT 116 C81(0.98); C162(1.17)  LDD0689  [16]
 LDCM0373  CL104 HCT 116 C81(1.04); C162(1.25)  LDD0690  [16]
 LDCM0374  CL105 HCT 116 C162(1.10); C81(1.22)  LDD0691  [16]
 LDCM0375  CL106 HCT 116 C162(1.07); C81(1.14)  LDD0692  [16]
 LDCM0376  CL107 HCT 116 C162(1.00); C81(1.27)  LDD0693  [16]
 LDCM0377  CL108 HCT 116 C162(1.02); C81(1.20)  LDD0694  [16]
 LDCM0378  CL109 HCT 116 C81(0.99); C162(1.07)  LDD0695  [16]
 LDCM0379  CL11 HCT 116 C162(0.92); C81(1.06)  LDD0696  [16]
 LDCM0380  CL110 HCT 116 C162(0.93); C81(1.14)  LDD0697  [16]
 LDCM0381  CL111 HCT 116 C81(0.93); C162(1.16)  LDD0698  [16]
 LDCM0382  CL112 HCT 116 C162(0.85); C81(1.05)  LDD0699  [16]
 LDCM0383  CL113 HCT 116 C162(1.06); C81(1.27)  LDD0700  [16]
 LDCM0384  CL114 HCT 116 C162(0.87); C81(1.18)  LDD0701  [16]
 LDCM0385  CL115 HCT 116 C162(0.97); C81(1.05)  LDD0702  [16]
 LDCM0386  CL116 HCT 116 C162(1.00); C81(1.04)  LDD0703  [16]
 LDCM0387  CL117 HCT 116 C162(0.48); C81(1.09)  LDD0704  [16]
 LDCM0388  CL118 HCT 116 C162(0.92); C81(1.17)  LDD0705  [16]
 LDCM0389  CL119 HCT 116 C162(0.95); C81(1.07)  LDD0706  [16]
 LDCM0390  CL12 HCT 116 C162(0.85); C81(1.76)  LDD0707  [16]
 LDCM0391  CL120 HCT 116 C162(0.85); C81(1.31)  LDD0708  [16]
 LDCM0392  CL121 HCT 116 C81(1.13); C162(1.14)  LDD0709  [16]
 LDCM0393  CL122 HCT 116 C162(1.02); C81(1.14)  LDD0710  [16]
 LDCM0394  CL123 HCT 116 C162(0.92); C81(0.98)  LDD0711  [16]
 LDCM0395  CL124 HCT 116 C162(0.96); C81(1.11)  LDD0712  [16]
 LDCM0396  CL125 HCT 116 C81(1.26)  LDD0713  [16]
 LDCM0397  CL126 HCT 116 C81(1.13)  LDD0714  [16]
 LDCM0398  CL127 HCT 116 C81(1.21)  LDD0715  [16]
 LDCM0399  CL128 HCT 116 C81(1.12)  LDD0716  [16]
 LDCM0400  CL13 HCT 116 C162(0.93); C81(1.01)  LDD0717  [16]
 LDCM0401  CL14 HCT 116 C162(0.87); C81(1.06)  LDD0718  [16]
 LDCM0402  CL15 HCT 116 C162(0.53); C81(1.12)  LDD0719  [16]
 LDCM0403  CL16 HCT 116 C162(1.07); C81(1.07)  LDD0720  [16]
 LDCM0404  CL17 HCT 116 C162(0.98); C81(1.02)  LDD0721  [16]
 LDCM0405  CL18 HCT 116 C81(1.22); C162(1.35)  LDD0722  [16]
 LDCM0406  CL19 HCT 116 C81(1.03); C162(1.13)  LDD0723  [16]
 LDCM0407  CL2 HCT 116 C162(0.97); C81(0.97)  LDD0724  [16]
 LDCM0408  CL20 HCT 116 C162(1.13); C81(1.15)  LDD0725  [16]
 LDCM0409  CL21 HCT 116 C162(0.94); C81(1.24)  LDD0726  [16]
 LDCM0410  CL22 HCT 116 C162(0.67); C81(1.33)  LDD0727  [16]
 LDCM0411  CL23 HCT 116 C81(0.95); C162(1.23)  LDD0728  [16]
 LDCM0412  CL24 HCT 116 C162(1.14); C81(1.29)  LDD0729  [16]
 LDCM0413  CL25 HCT 116 C162(1.00); C81(1.19)  LDD0730  [16]
 LDCM0414  CL26 HCT 116 C162(1.20); C81(1.10)  LDD0731  [16]
 LDCM0415  CL27 HCT 116 C162(1.04); C81(1.19)  LDD0732  [16]
 LDCM0416  CL28 HCT 116 C162(1.08); C81(1.25)  LDD0733  [16]
 LDCM0417  CL29 HCT 116 C162(1.11); C81(1.19)  LDD0734  [16]
 LDCM0418  CL3 HCT 116 C162(1.04); C81(1.12)  LDD0735  [16]
 LDCM0419  CL30 HCT 116 C162(1.10); C81(1.11)  LDD0736  [16]
 LDCM0420  CL31 HCT 116 C162(1.06); C81(0.95)  LDD0737  [16]
 LDCM0421  CL32 HCT 116 C162(1.22); C81(1.02)  LDD0738  [16]
 LDCM0422  CL33 HCT 116 C162(1.09); C81(0.97)  LDD0739  [16]
 LDCM0423  CL34 HCT 116 C162(1.04); C81(1.06)  LDD0740  [16]
 LDCM0424  CL35 HCT 116 C162(1.21); C81(1.13)  LDD0741  [16]
 LDCM0425  CL36 HCT 116 C162(1.12); C81(1.07)  LDD0742  [16]
 LDCM0426  CL37 HCT 116 C162(1.10); C81(1.17)  LDD0743  [16]
 LDCM0428  CL39 HCT 116 C162(0.96); C81(1.12)  LDD0745  [16]
 LDCM0429  CL4 HCT 116 C162(0.96); C81(0.91)  LDD0746  [16]
 LDCM0430  CL40 HCT 116 C162(1.15); C81(1.03)  LDD0747  [16]
 LDCM0431  CL41 HCT 116 C162(1.10); C81(1.05)  LDD0748  [16]
 LDCM0432  CL42 HCT 116 C162(0.78); C81(1.27)  LDD0749  [16]
 LDCM0433  CL43 HCT 116 C162(1.09); C81(1.03)  LDD0750  [16]
 LDCM0434  CL44 HCT 116 C162(1.29); C81(1.01)  LDD0751  [16]
 LDCM0435  CL45 HCT 116 C162(1.11); C81(1.08)  LDD0752  [16]
 LDCM0436  CL46 HCT 116 C162(0.90); C81(1.11)  LDD0753  [16]
 LDCM0437  CL47 HCT 116 C162(0.89); C81(1.08)  LDD0754  [16]
 LDCM0438  CL48 HCT 116 C162(0.99); C81(1.09)  LDD0755  [16]
 LDCM0439  CL49 HCT 116 C162(1.08); C81(0.87)  LDD0756  [16]
 LDCM0440  CL5 HCT 116 C162(1.01); C81(1.32)  LDD0757  [16]
 LDCM0441  CL50 HCT 116 C162(0.85); C81(1.00)  LDD0758  [16]
 LDCM0442  CL51 HCT 116 C162(0.87); C81(0.84)  LDD0759  [16]
 LDCM0443  CL52 HCT 116 C162(0.94); C81(0.88)  LDD0760  [16]
 LDCM0444  CL53 HCT 116 C162(1.07); C81(0.90)  LDD0761  [16]
 LDCM0445  CL54 HCT 116 C162(0.87); C81(1.24)  LDD0762  [16]
 LDCM0446  CL55 HCT 116 C162(1.05); C81(1.00)  LDD0763  [16]
 LDCM0447  CL56 HCT 116 C162(0.94); C81(1.11)  LDD0764  [16]
 LDCM0448  CL57 HCT 116 C162(0.98); C81(0.98)  LDD0765  [16]
 LDCM0449  CL58 HCT 116 C162(0.97); C81(1.16)  LDD0766  [16]
 LDCM0450  CL59 HCT 116 C162(0.94); C81(0.97)  LDD0767  [16]
 LDCM0451  CL6 HCT 116 C162(0.99); C81(1.48)  LDD0768  [16]
 LDCM0452  CL60 HCT 116 C162(0.95); C81(1.03)  LDD0769  [16]
 LDCM0453  CL61 HCT 116 C162(0.92); C81(1.20)  LDD0770  [16]
 LDCM0454  CL62 HCT 116 C162(0.91); C81(1.15)  LDD0771  [16]
 LDCM0455  CL63 HCT 116 C162(0.80); C81(1.32)  LDD0772  [16]
 LDCM0456  CL64 HCT 116 C162(0.79); C81(1.24)  LDD0773  [16]
 LDCM0457  CL65 HCT 116 C162(0.86); C81(1.23)  LDD0774  [16]
 LDCM0458  CL66 HCT 116 C162(0.82); C81(1.26)  LDD0775  [16]
 LDCM0459  CL67 HCT 116 C162(0.96); C81(1.22)  LDD0776  [16]
 LDCM0460  CL68 HCT 116 C162(0.81); C81(1.25)  LDD0777  [16]
 LDCM0461  CL69 HCT 116 C162(0.94); C81(1.23)  LDD0778  [16]
 LDCM0462  CL7 HCT 116 C162(0.96); C81(1.34)  LDD0779  [16]
 LDCM0463  CL70 HCT 116 C162(0.98); C81(1.32)  LDD0780  [16]
 LDCM0464  CL71 HCT 116 C162(0.80); C81(1.16)  LDD0781  [16]
 LDCM0465  CL72 HCT 116 C162(0.74); C81(1.34)  LDD0782  [16]
 LDCM0466  CL73 HCT 116 C162(0.81); C81(1.18)  LDD0783  [16]
 LDCM0467  CL74 HCT 116 C162(0.85); C81(1.26)  LDD0784  [16]
 LDCM0469  CL76 HCT 116 C162(1.05); C81(0.89)  LDD0786  [16]
 LDCM0470  CL77 HCT 116 C162(0.62); C81(0.85)  LDD0787  [16]
 LDCM0471  CL78 HCT 116 C162(0.88); C81(0.98)  LDD0788  [16]
 LDCM0472  CL79 HCT 116 C162(1.05); C81(0.94)  LDD0789  [16]
 LDCM0473  CL8 HCT 116 C162(0.72); C81(0.93)  LDD0790  [16]
 LDCM0474  CL80 HCT 116 C162(0.99); C81(1.03)  LDD0791  [16]
 LDCM0475  CL81 HCT 116 C162(0.96); C81(0.93)  LDD0792  [16]
 LDCM0476  CL82 HCT 116 C162(0.98); C81(1.02)  LDD0793  [16]
 LDCM0477  CL83 HCT 116 C162(0.93); C81(0.94)  LDD0794  [16]
 LDCM0478  CL84 HCT 116 C162(0.73); C81(0.96)  LDD0795  [16]
 LDCM0479  CL85 HCT 116 C162(1.03); C81(0.97)  LDD0796  [16]
 LDCM0480  CL86 HCT 116 C162(1.10); C81(0.97)  LDD0797  [16]
 LDCM0481  CL87 HCT 116 C162(1.17); C81(0.92)  LDD0798  [16]
 LDCM0482  CL88 HCT 116 C162(0.93); C81(0.93)  LDD0799  [16]
 LDCM0483  CL89 HCT 116 C162(0.70); C81(0.95)  LDD0800  [16]
 LDCM0484  CL9 HCT 116 C162(0.94); C81(1.00)  LDD0801  [16]
 LDCM0485  CL90 HCT 116 C162(0.74); C81(0.83)  LDD0802  [16]
 LDCM0486  CL91 HCT 116 C162(0.86); C81(0.94)  LDD0803  [16]
 LDCM0487  CL92 HCT 116 C162(0.71); C81(1.08)  LDD0804  [16]
 LDCM0488  CL93 HCT 116 C162(0.86); C81(1.20)  LDD0805  [16]
 LDCM0489  CL94 HCT 116 C162(0.80); C81(0.93)  LDD0806  [16]
 LDCM0490  CL95 HCT 116 C162(0.81); C81(0.83)  LDD0807  [16]
 LDCM0491  CL96 HCT 116 C162(0.79); C81(1.05)  LDD0808  [16]
 LDCM0492  CL97 HCT 116 C162(0.90); C81(1.17)  LDD0809  [16]
 LDCM0493  CL98 HCT 116 C162(0.93); C81(0.96)  LDD0810  [16]
 LDCM0494  CL99 HCT 116 C162(0.90); C81(1.15)  LDD0811  [16]
 LDCM0495  E2913 HEK-293T C81(0.91); C162(0.87); C135(1.01); C27(1.13)  LDD1698  [39]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C162(2.32); C81(1.68)  LDD1702  [38]
 LDCM0175  Ethacrynic acid HeLa C81(0.92)  LDD2210  [12]
 LDCM0625  F8 Ramos C62(1.27); C135(0.28); C81(1.58); C162(0.83)  LDD2187  [40]
 LDCM0572  Fragment10 Ramos C62(0.52); C135(0.64); C81(0.72); C162(0.59)  LDD2189  [40]
 LDCM0573  Fragment11 Ramos C62(0.01); C135(0.07); C81(0.01); C162(0.00)  LDD2190  [40]
 LDCM0574  Fragment12 Ramos C62(0.54); C135(0.51); C81(0.82); C162(0.82)  LDD2191  [40]
 LDCM0575  Fragment13 Ramos C62(0.95); C135(0.71); C81(0.73); C162(1.30)  LDD2192  [40]
 LDCM0576  Fragment14 Ramos C62(0.65); C135(0.70); C81(0.38); C162(0.68)  LDD2193  [40]
 LDCM0579  Fragment20 Ramos C62(0.52); C135(0.57); C81(0.67); C162(1.04)  LDD2194  [40]
 LDCM0580  Fragment21 Ramos C62(0.67); C135(0.85); C81(0.72); C162(1.17)  LDD2195  [40]
 LDCM0582  Fragment23 Ramos C62(0.32); C135(0.34); C81(0.64); C162(0.51)  LDD2196  [40]
 LDCM0578  Fragment27 Ramos C62(0.80); C135(0.72); C81(0.84); C162(1.03)  LDD2197  [40]
 LDCM0586  Fragment28 Ramos C62(0.85); C135(0.37); C81(0.48); C162(1.73)  LDD2198  [40]
 LDCM0588  Fragment30 Ramos C62(1.04); C135(1.03); C81(1.12); C162(0.90)  LDD2199  [40]
 LDCM0589  Fragment31 Ramos C62(0.83); C135(0.74); C81(0.84); C162(1.20)  LDD2200  [40]
 LDCM0590  Fragment32 Ramos C62(0.47); C135(0.66); C81(0.74); C162(0.48)  LDD2201  [40]
 LDCM0468  Fragment33 HCT 116 C162(0.79); C81(1.25)  LDD0785  [16]
 LDCM0596  Fragment38 Ramos C62(0.91); C135(0.62); C81(0.89); C162(1.28)  LDD2203  [40]
 LDCM0566  Fragment4 Ramos C62(1.05); C135(0.25); C81(0.66); C162(1.04)  LDD2184  [40]
 LDCM0427  Fragment51 HCT 116 C162(0.86); C81(1.15)  LDD0744  [16]
 LDCM0610  Fragment52 Ramos C62(0.88); C135(0.89); C81(1.03); C162(1.29)  LDD2204  [40]
 LDCM0614  Fragment56 Ramos C62(1.10); C135(1.46); C81(1.14); C162(1.06)  LDD2205  [40]
 LDCM0569  Fragment7 Ramos C62(0.51); C135(0.32); C81(0.32); C162(0.56)  LDD2186  [40]
 LDCM0571  Fragment9 Ramos C62(0.52); C135(0.78); C81(1.11); C162(0.63)  LDD2188  [40]
 LDCM0116  HHS-0101 DM93 Y211(1.00)  LDD0264  [14]
 LDCM0117  HHS-0201 DM93 Y211(1.65)  LDD0265  [14]
 LDCM0118  HHS-0301 DM93 Y211(0.86)  LDD0266  [14]
 LDCM0119  HHS-0401 DM93 Y211(1.13)  LDD0267  [14]
 LDCM0120  HHS-0701 DM93 Y211(1.08)  LDD0268  [14]
 LDCM0107  IAA HeLa C162(0.00); H153(0.00); C135(0.00)  LDD0221  [30]
 LDCM0123  JWB131 DM93 Y211(1.51); Y249(0.68)  LDD0285  [13]
 LDCM0124  JWB142 DM93 Y211(1.11); Y249(0.83)  LDD0286  [13]
 LDCM0125  JWB146 DM93 Y211(0.53); Y249(0.81)  LDD0287  [13]
 LDCM0126  JWB150 DM93 Y211(1.16); Y249(2.12)  LDD0288  [13]
 LDCM0127  JWB152 DM93 Y211(1.60); Y249(2.69)  LDD0289  [13]
 LDCM0128  JWB198 DM93 Y249(0.44)  LDD0290  [13]
 LDCM0129  JWB202 DM93 Y211(0.63); Y249(0.69)  LDD0291  [13]
 LDCM0130  JWB211 DM93 Y211(0.45); Y249(0.43)  LDD0292  [13]
 LDCM0179  JZ128 PC-3 C135(0.00); C162(0.00)  LDD0462  [10]
 LDCM0022  KB02 HCT 116 C81(1.01)  LDD0080  [16]
 LDCM0023  KB03 HCT 116 C81(0.89)  LDD0081  [16]
 LDCM0024  KB05 HCT 116 C81(0.86)  LDD0082  [16]
 LDCM0509  N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide MDA-MB-231 C162(0.96)  LDD2102  [38]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C162(0.81); C62(0.73); C81(0.92)  LDD2121  [38]
 LDCM0109  NEM HeLa H153(0.00); H246(0.00)  LDD0223  [30]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C162(0.67); C62(0.82); C81(1.09)  LDD2089  [38]
 LDCM0497  Nucleophilic fragment 11b MDA-MB-231 C162(0.93); C62(0.89)  LDD2090  [38]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C162(0.87)  LDD2092  [38]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C162(1.01); C62(0.98)  LDD2093  [38]
 LDCM0501  Nucleophilic fragment 13b MDA-MB-231 C162(0.93); C81(2.47)  LDD2094  [38]
 LDCM0503  Nucleophilic fragment 14b MDA-MB-231 C62(2.92); C81(0.03)  LDD2096  [38]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C62(0.87)  LDD2097  [38]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C162(1.05); C62(0.77)  LDD2098  [38]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C162(0.97); C62(1.14)  LDD2099  [38]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C162(0.87); C62(0.90)  LDD2100  [38]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C162(1.00); C62(0.83)  LDD2101  [38]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C162(0.72); C62(0.90); C81(0.71)  LDD2104  [38]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C162(1.05); C62(0.94); C81(5.11)  LDD2105  [38]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C162(0.56); C62(0.78)  LDD2106  [38]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C162(0.96); C62(1.38); C81(1.05)  LDD2107  [38]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C62(0.78)  LDD2108  [38]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C162(0.71); C62(0.97)  LDD2109  [38]
 LDCM0517  Nucleophilic fragment 21b MDA-MB-231 C162(0.61); C62(1.14)  LDD2110  [38]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C162(1.11); C62(1.14)  LDD2111  [38]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C162(0.55); C62(0.93); C81(1.17)  LDD2114  [38]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C162(0.41); C62(0.52)  LDD2115  [38]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C162(0.41); C81(0.05)  LDD2118  [38]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C162(2.07); C62(1.81)  LDD2119  [38]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C162(0.74); C62(0.93)  LDD2120  [38]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C162(1.01); C62(1.06)  LDD2123  [38]
 LDCM0531  Nucleophilic fragment 28b MDA-MB-231 C62(0.24)  LDD2124  [38]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C162(0.89); C62(1.01)  LDD2125  [38]
 LDCM0533  Nucleophilic fragment 29b MDA-MB-231 C62(0.26)  LDD2126  [38]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C162(1.10); C62(1.54)  LDD2127  [38]
 LDCM0535  Nucleophilic fragment 30b MDA-MB-231 C62(1.38); C81(0.24)  LDD2128  [38]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C162(1.03); C62(1.00)  LDD2129  [38]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C162(0.62); C62(0.39)  LDD2133  [38]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C162(0.57); C62(0.50)  LDD2134  [38]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C162(1.12); C62(1.24)  LDD2135  [38]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C62(1.45)  LDD2136  [38]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C162(1.06); C62(1.10)  LDD2137  [38]
 LDCM0211  Nucleophilic fragment 3b MDA-MB-231 C62(2.41); C162(0.95)  LDD1700  [38]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C162(0.90); C62(1.01)  LDD2140  [38]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C62(0.78)  LDD2141  [38]
 LDCM0549  Nucleophilic fragment 43 MDA-MB-231 C162(0.74); C62(0.97)  LDD2143  [38]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C162(1.91); C62(2.31)  LDD2144  [38]
 LDCM0551  Nucleophilic fragment 5b MDA-MB-231 C162(4.91)  LDD2145  [38]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C162(1.09); C62(1.05)  LDD2146  [38]
 LDCM0553  Nucleophilic fragment 6b MDA-MB-231 C162(2.15)  LDD2147  [38]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C162(0.52); C62(0.43)  LDD2148  [38]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C162(0.48); C62(0.55)  LDD2150  [38]
 LDCM0557  Nucleophilic fragment 8b MDA-MB-231 C62(0.22)  LDD2151  [38]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C162(1.95)  LDD2153  [38]
 LDCM0627  NUDT7-COV-1 HEK-293T C62(0.92)  LDD2206  [41]
 LDCM0628  OTUB2-COV-1 HEK-293T C81(2.79); C81(1.79); C135(1.78); C162(0.28)  LDD2207  [41]
 LDCM0131  RA190 MM1.R C135(1.32); C81(1.15)  LDD0304  [42]
 LDCM0021  THZ1 HeLa S3 C135(1.06)  LDD0460  [10]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 18 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Maspardin (SPG21) AB hydrolase superfamily Q9NZD8
Fructose-bisphosphate aldolase A (ALDOA) Class I fructose-bisphosphate aldolase family P04075
Actin-histidine N-methyltransferase (SETD3) SETD3 actin-histidine methyltransferase family Q86TU7
DNA polymerase delta subunit 4 (POLD4) DNA polymerase delta subunit 4 family Q9HCU8
DNA polymerase delta subunit 2 (POLD2) DNA polymerase delta/II small subunit family P49005
DNA polymerase delta catalytic subunit (POLD1) DNA polymerase type-B family P28340
Alpha-enolase (ENO1) Enolase family P06733
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) Glyceraldehyde-3-phosphate dehydrogenase family P04406
Angiogenin (ANG) Pancreatic ribonuclease family P03950
Peroxiredoxin-6 (PRDX6) Peroxiredoxin family P30041
Phosphoglycerate kinase 1 (PGK1) Phosphoglycerate kinase family P00558
Phosphoglycerate mutase 1 (PGAM1) Phosphoglycerate mutase family P18669
RING-box protein 2 (RNF7) RING-box family Q9UBF6
DNA annealing helicase and endonuclease ZRANB3 (ZRANB3) SNF2/RAD54 helicase family Q5FWF4
Helicase-like transcription factor (HLTF) SNF2/RAD54 helicase family Q14527
Elongation factor 1-alpha 1 (EEF1A1) Classic translation factor GTPase family P68104
Triosephosphate isomerase (TPI1) Triosephosphate isomerase family P60174
Flap endonuclease 1 (FEN1) XPG/RAD2 endonuclease family P39748
Transporter and channel
Click To Hide/Show 3 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Annexin A2 (ANXA2) Annexin family P07355
Proton-coupled zinc antiporter SLC30A8 (SLC30A8) Cation diffusion facilitator (CDF) transporter (TC 2.A.4) family Q8IWU4
Transmembrane protein 218 (TMEM218) TMEM218 family A2RU14
Immunoglobulin
Click To Hide/Show 2 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Beta-2-microglobulin (B2M) Beta-2-microglobulin family P61769
Natural cytotoxicity triggering receptor 2 (NCR2) Natural cytotoxicity receptor (NCR) family O95944
Other
Click To Hide/Show 11 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Cyclin-dependent kinase inhibitor 1 (CDKN1A) CDI family P38936
Cyclin-dependent kinase inhibitor 2A (CDKN2A) CDKN2 cyclin-dependent kinase inhibitor family P42771
DNA replication factor Cdt1 (CDT1) Cdt1 family Q9H211
Chromatin assembly factor 1 subunit A (CHAF1A) CHAF1A family Q13111
DNA mismatch repair protein Msh3 (MSH3) DNA mismatch repair MutS family P20585
Inhibitor of growth protein 2 (ING2) ING family Q9H160
Repressor of RNA polymerase III transcription MAF1 homolog (MAF1) MAF1 family Q9H063
Proliferating cell nuclear antigen (PCNA) PCNA family P12004
DNA polymerase delta subunit 3 (POLD3) . Q15054
Nuclear transport factor 2 (NUTF2) . P61970
PCNA-associated factor (PCLAF) . Q15004

The Drug(s) Related To This Target

Approved
Click To Hide/Show 2 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Acetylsalicylic Acid Small molecular drug DB00945
Liothyronine Small molecular drug DB00279
Phase 3
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Atx-101 . D02PQB
Discontinued
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Chelase . D04XEO

References

1 Quantitative and Site-Specific Chemoproteomic Profiling of Targets of Acrolein. Chem Res Toxicol. 2019 Mar 18;32(3):467-473. doi: 10.1021/acs.chemrestox.8b00343. Epub 2019 Jan 15.
2 2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases. J Am Chem Soc. 2023 Feb 12. doi: 10.1021/jacs.2c11595. Online ahead of print.
Mass spectrometry data entry: PXD037665
3 Cyclopropenone, Cyclopropeniminium Ion, and Cyclopropenethione as Novel Electrophilic Warheads for Potential Target Discovery of Triple-Negative Breast Cancer. J Med Chem. 2023 Feb 23;66(4):2851-2864. doi: 10.1021/acs.jmedchem.2c01889. Epub 2023 Feb 10.
4 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.
5 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.
6 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.
7 A Paal-Knorr agent for chemoproteomic profiling of targets of isoketals in cells. Chem Sci. 2021 Oct 15;12(43):14557-14563. doi: 10.1039/d1sc02230j. eCollection 2021 Nov 10.
Mass spectrometry data entry: PXD028270
8 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
9 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.
10 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.
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 Reveals Ethacrynic Acid Targets Adenine Nucleotide Translocases to Impair Mitochondrial Function. Mol Pharm. 2018 Jun 4;15(6):2413-2422. doi: 10.1021/acs.molpharmaceut.8b00250. Epub 2018 May 15.
13 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.
14 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.
15 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.
16 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.
17 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
18 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.
19 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
20 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
21 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
22 A modification-centric assessment tool for the performance of chemoproteomic probes. Nat Chem Biol. 2022 Aug;18(8):904-912. doi: 10.1038/s41589-022-01074-8. Epub 2022 Jul 21.
Mass spectrometry data entry: PXD027758 , PXD027755 , PXD027760 , PXD027762 , PXD027756 , PXD027591 , PXD007149 , PXD030064 , PXD032392 , PXD027789 , PXD027767 , PXD027764
23 Chemoproteomic Profiling by Cysteine Fluoroalkylation Reveals Myrocin G as an Inhibitor of the Nonhomologous End Joining DNA Repair Pathway. J Am Chem Soc. 2021 Dec 8;143(48):20332-20342. doi: 10.1021/jacs.1c09724. Epub 2021 Nov 24.
Mass spectrometry data entry: PXD029255
24 N-Acryloylindole-alkyne (NAIA) enables imaging and profiling new ligandable cysteines and oxidized thiols by chemoproteomics. Nat Commun. 2023 Jun 15;14(1):3564. doi: 10.1038/s41467-023-39268-w.
Mass spectrometry data entry: PXD041264
25 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
26 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
27 Solid Phase Synthesis of Fluorosulfate Containing Macrocycles for Chemoproteomic Workflows. bioRxiv [Preprint]. 2023 Feb 18:2023.02.17.529022. doi: 10.1101/2023.02.17.529022.
Mass spectrometry data entry: PXD039931
28 DFT-Guided Discovery of Ethynyl-Triazolyl-Phosphinates as Modular Electrophiles for Chemoselective Cysteine Bioconjugation and Profiling. Angew Chem Int Ed Engl. 2022 Oct 10;61(41):e202205348. doi: 10.1002/anie.202205348. Epub 2022 Aug 22.
Mass spectrometry data entry: PXD033004
29 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.
30 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.
31 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.
32 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.
33 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.
34 Pharmacological Targeting of Vacuolar H(+)-ATPase via Subunit V1G Combats Multidrug-Resistant Cancer. Cell Chem Biol. 2020 Nov 19;27(11):1359-1370.e8. doi: 10.1016/j.chembiol.2020.06.011. Epub 2020 Jul 9.
35 Evaluation of fully-functionalized diazirine tags for chemical proteomic applications. Chem Sci. 2021 May 7;12(22):7839-7847. doi: 10.1039/d1sc01360b.
Mass spectrometry data entry: PXD025652
36 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.
37 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.
38 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
39 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
40 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
41 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.
42 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.