Details of the Target

General Information of Target

Target ID LDTP05808
Target Name Transcription intermediary factor 1-beta (TRIM28)
Gene Name TRIM28
Gene ID 10155
Synonyms
KAP1; RNF96; TIF1B; Transcription intermediary factor 1-beta; TIF1-beta; E3 SUMO-protein ligase TRIM28; EC 2.3.2.27; KRAB-associated protein 1; KAP-1; KRAB-interacting protein 1; KRIP-1; Nuclear corepressor KAP-1; RING finger protein 96; RING-type E3 ubiquitin transferase TIF1-beta; Tripartite motif-containing protein 28
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MAASAAAASAAAASAASGSPGPGEGSAGGEKRSTAPSAAASASASAAASSPAGGGAEALE
LLEHCGVCRERLRPEREPRLLPCLHSACSACLGPAAPAAANSSGDGGAAGDGTVVDCPVC
KQQCFSKDIVENYFMRDSGSKAATDAQDANQCCTSCEDNAPATSYCVECSEPLCETCVEA
HQRVKYTKDHTVRSTGPAKSRDGERTVYCNVHKHEPLVLFCESCDTLTCRDCQLNAHKDH
QYQFLEDAVRNQRKLLASLVKRLGDKHATLQKSTKEVRSSIRQVSDVQKRVQVDVKMAIL
QIMKELNKRGRVLVNDAQKVTEGQQERLERQHWTMTKIQKHQEHILRFASWALESDNNTA
LLLSKKLIYFQLHRALKMIVDPVEPHGEMKFQWDLNAWTKSAEAFGKIVAERPGTNSTGP
APMAPPRAPGPLSKQGSGSSQPMEVQEGYGFGSGDDPYSSAEPHVSGVKRSRSGEGEVSG
LMRKVPRVSLERLDLDLTADSQPPVFKVFPGSTTEDYNLIVIERGAAAAATGQPGTAPAG
TPGAPPLAGMAIVKEEETEAAIGAPPTATEGPETKPVLMALAEGPGAEGPRLASPSGSTS
SGLEVVAPEGTSAPGGGPGTLDDSATICRVCQKPGDLVMCNQCEFCFHLDCHLPALQDVP
GEEWSCSLCHVLPDLKEEDGSLSLDGADSTGVVAKLSPANQRKCERVLLALFCHEPCRPL
HQLATDSTFSLDQPGGTLDLTLIRARLQEKLSPPYSSPQEFAQDVGRMFKQFNKLTEDKA
DVQSIIGLQRFFETRMNEAFGDTKFSAVLVEPPPMSLPGAGLSSQELSGGPGDGP
Target Type
Literature-reported
Target Bioclass
Enzyme
Family
TRIM/RBCC family
Subcellular location
Nucleus
Function
Nuclear corepressor for KRAB domain-containing zinc finger proteins (KRAB-ZFPs). Mediates gene silencing by recruiting CHD3, a subunit of the nucleosome remodeling and deacetylation (NuRD) complex, and SETDB1 (which specifically methylates histone H3 at 'Lys-9' (H3K9me)) to the promoter regions of KRAB target genes. Enhances transcriptional repression by coordinating the increase in H3K9me, the decrease in histone H3 'Lys-9 and 'Lys-14' acetylation (H3K9ac and H3K14ac, respectively) and the disposition of HP1 proteins to silence gene expression. Recruitment of SETDB1 induces heterochromatinization. May play a role as a coactivator for CEBPB and NR3C1 in the transcriptional activation of ORM1. Also a corepressor for ERBB4. Inhibits E2F1 activity by stimulating E2F1-HDAC1 complex formation and inhibiting E2F1 acetylation. May serve as a partial backup to prevent E2F1-mediated apoptosis in the absence of RB1. Important regulator of CDKN1A/p21(CIP1). Has E3 SUMO-protein ligase activity toward itself via its PHD-type zinc finger. Also specifically sumoylates IRF7, thereby inhibiting its transactivation activity. Ubiquitinates p53/TP53 leading to its proteasomal degradation; the function is enhanced by MAGEC2 and MAGEA2, and possibly MAGEA3 and MAGEA6. Mediates the nuclear localization of KOX1, ZNF268 and ZNF300 transcription factors. In association with isoform 2 of ZFP90, is required for the transcriptional repressor activity of FOXP3 and the suppressive function of regulatory T-cells (Treg). Probably forms a corepressor complex required for activated KRAS-mediated promoter hypermethylation and transcriptional silencing of tumor suppressor genes (TSGs) or other tumor-related genes in colorectal cancer (CRC) cells. Required to maintain a transcriptionally repressive state of genes in undifferentiated embryonic stem cells (ESCs). In ESCs, in collaboration with SETDB1, is also required for H3K9me3 and silencing of endogenous and introduced retroviruses in a DNA-methylation independent-pathway. Associates at promoter regions of tumor suppressor genes (TSGs) leading to their gene silencing. The SETDB1-TRIM28-ZNF274 complex may play a role in recruiting ATRX to the 3'-exons of zinc-finger coding genes with atypical chromatin signatures to establish or maintain/protect H3K9me3 at these transcriptionally active regions.; (Microbial infection) Plays a critical role in the shutdown of lytic gene expression during the early stage of herpes virus 8 primary infection. This inhibition is mediated through interaction with herpes virus 8 protein LANA1.
TTD ID
T91624
Uniprot ID
Q13263
DrugMap ID
TTQ2BKV
Ensemble ID
ENST00000253024.10
HGNC ID
HGNC:16384
ChEMBL ID
CHEMBL3769297

Target Site Mutations in Different Cell Lines

Cell line Mutation details Probe for labeling this protein in this cell
CCK81 Deletion: p.G54AfsTer39
SNV: p.C120Y		 DBIA    Probe Info 
DU145 SNV: p.S598N DBIA    Probe Info 
KMS27 SNV: p.L255F DBIA    Probe Info 
KYSE150 SNV: p.K272N DBIA    Probe Info 
LS123 SNV: p.G680A DBIA    Probe Info 
MOLT4 SNV: p.R718P IA-alkyne    Probe Info 
P31FUJ SNV: p.R309Q DBIA    Probe Info 
SHP77 SNV: p.G414S DBIA    Probe Info 
SKNSH SNV: p.S33Y; p.A35D .
U2OS SNV: p.E715K DBIA    Probe Info 
WM2664 Insertion: p.S14CfsTer76 DBIA    Probe Info 

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 46 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
A-EBA
 Probe Info  		3.80  LDD0215  [1]
ILS-1
 Probe Info  		2.13  LDD0415  [2]
CY-1
 Probe Info  		100.00  LDD0243  [3]
CY4
 Probe Info  		100.00  LDD0244  [3]
N1
 Probe Info  		100.00  LDD0242  [3]
TH211
 Probe Info  		Y208(20.00); Y449(20.00); Y458(20.00); Y242(12.02)  LDD0257  [4]
TH214
 Probe Info  		Y208(14.58); Y242(12.09)  LDD0258  [4]
TH216
 Probe Info  		Y242(18.44); Y755(6.82)  LDD0259  [4]
YN-1
 Probe Info  		100.00  LDD0444  [5]
BTD
 Probe Info  		C232(2.61)  LDD1699  [6]
AZ-9
 Probe Info  		D781(0.93); E326(1.01)  LDD2208  [7]
ONAyne
 Probe Info  		K199(0.00); K750(0.00)  LDD0273  [8]
IPM
 Probe Info  		C209(0.00); C229(0.00); C232(0.00); C224(0.00)  LDD0241  [9]
Probe 1
 Probe Info  		Y133(31.08); Y186(17.81); Y208(20.76); Y242(21.41)  LDD3495  [10]
P11
 Probe Info  		15.09  LDD0201  [11]
JZ128-DTB
 Probe Info  		C232(0.00); C177(0.00); C166(0.00); C156(0.00)  LDD0462  [12]
AHL-Pu-1
 Probe Info  		C209(2.24)  LDD0170  [13]
HHS-482
 Probe Info  		Y133(0.92); Y208(1.04); Y242(0.64); Y449(1.26)  LDD0285  [14]
HHS-475
 Probe Info  		Y165(0.38); Y449(0.72); Y458(0.78); Y242(0.80)  LDD0264  [15]
HHS-465
 Probe Info  		Y133(10.00); Y208(8.14); Y242(6.80); Y369(10.00)  LDD2237  [16]
DBIA
 Probe Info  		C224(0.88); C229(0.88); C209(0.87); C221(0.85)  LDD0078  [17]
5E-2FA
 Probe Info  		H64(0.00); H214(0.00)  LDD2235  [18]
AMP probe
 Probe Info  		N.A.  LDD0200  [19]
ATP probe
 Probe Info  		K254(0.00); K377(0.00); K319(0.00); K779(0.00)  LDD0199  [19]
m-APA
 Probe Info  		H237(0.00); H464(0.00); H64(0.00); H214(0.00)  LDD2231  [18]
4-Iodoacetamidophenylacetylene
 Probe Info  		C232(0.00); C628(0.00); C209(0.00); C717(0.00)  LDD0038  [20]
IA-alkyne
 Probe Info  		C232(0.00); C628(0.00); C209(0.00)  LDD0032  [21]
IPIAA_H
 Probe Info  		N.A.  LDD0030  [22]
IPIAA_L
 Probe Info  		C221(0.00); C232(0.00); C65(0.00); C713(0.00)  LDD0031  [22]
Lodoacetamide azide
 Probe Info  		C232(0.00); C717(0.00); C713(0.00); C224(0.00)  LDD0037  [20]
ATP probe
 Probe Info  		K261(0.00); K304(0.00)  LDD0035  [23]
JW-RF-010
 Probe Info  		C65(0.00); C628(0.00); C68(0.00)  LDD0026  [24]
NAIA_4
 Probe Info  		C124(0.00); C232(0.00); C628(0.00)  LDD2226  [25]
TFBX
 Probe Info  		N.A.  LDD0027  [24]
WYneN
 Probe Info  		C232(0.00); C209(0.00)  LDD0021  [26]
1d-yne
 Probe Info  		K296(0.00); K770(0.00); K774(0.00); K750(0.00)  LDD0356  [27]
NHS
 Probe Info  		K304(0.00); K266(0.00); K774(0.00); K337(0.00)  LDD0010  [26]
SF
 Probe Info  		Y242(0.00); Y369(0.00); Y517(0.00); K199(0.00)  LDD0028  [28]
STPyne
 Probe Info  		K319(0.00); K304(0.00); K377(0.00); K779(0.00)  LDD0009  [26]
Phosphinate-6
 Probe Info  		C68(0.00); C704(0.00); C65(0.00); C209(0.00)  LDD0018  [29]
Ox-W18
 Probe Info  		W333(0.00); W351(0.00)  LDD2175  [30]
1c-yne
 Probe Info  		K340(0.00); K469(0.00); K377(0.00); K407(0.00)  LDD0228  [27]
Acrolein
 Probe Info  		C65(0.00); C232(0.00); H240(0.00); C209(0.00)  LDD0217  [31]
Crotonaldehyde
 Probe Info  		C209(0.00); H267(0.00); H212(0.00); H237(0.00)  LDD0219  [31]
W1
 Probe Info  		C628(0.00); H341(0.00); H344(0.00)  LDD0236  [9]
NAIA_5
 Probe Info  		C232(0.00); C124(0.00); C68(0.00); C65(0.00)  LDD2223  [25]
PAL-AfBPP Probe
Click To Hide/Show 3 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
FFF probe14
 Probe Info  		5.22  LDD0477  [32]
VE-P
 Probe Info  		N.A.  LDD0396  [33]
DA-2
 Probe Info  		N.A.  LDD0070  [34]

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 C209(0.49); C232(0.97)  LDD2142  [6]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C209(0.58)  LDD2112  [6]
 LDCM0502  1-(Cyanoacetyl)piperidine MDA-MB-231 C209(0.67)  LDD2095  [6]
 LDCM0537  2-Cyano-N,N-dimethylacetamide MDA-MB-231 C209(0.85); C232(0.71)  LDD2130  [6]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C209(0.85); C232(1.02); C124(0.66)  LDD2117  [6]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C209(1.03)  LDD2152  [6]
 LDCM0510  3-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-3-oxopropanenitrile MDA-MB-231 C209(1.09)  LDD2103  [6]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C209(0.49); C232(0.77)  LDD2132  [6]
 LDCM0538  4-(Cyanoacetyl)morpholine MDA-MB-231 C209(0.67); C232(0.38)  LDD2131  [6]
 LDCM0025  4SU-RNA DM93 C209(2.24)  LDD0170  [13]
 LDCM0026  4SU-RNA+native RNA DM93 C209(2.44)  LDD0171  [13]
 LDCM0214  AC1 HCT 116 C120(1.19); C166(1.18); C169(2.11); C177(1.74)  LDD0531  [17]
 LDCM0215  AC10 HCT 116 C120(1.03); C169(1.03); C177(1.01); C152(1.44)  LDD0532  [17]
 LDCM0216  AC100 HCT 116 C169(1.34); C153(1.34); C174(1.34); C209(0.81)  LDD0533  [17]
 LDCM0217  AC101 HCT 116 C169(1.64); C153(1.64); C174(1.64); C209(0.83)  LDD0534  [17]
 LDCM0218  AC102 HCT 116 C169(1.76); C153(1.76); C174(1.76); C209(0.86)  LDD0535  [17]
 LDCM0219  AC103 HCT 116 C169(1.21); C153(1.21); C174(1.21); C209(0.84)  LDD0536  [17]
 LDCM0220  AC104 HCT 116 C169(1.05); C153(1.05); C174(1.05); C209(0.70)  LDD0537  [17]
 LDCM0221  AC105 HCT 116 C169(1.38); C153(1.38); C174(1.38); C209(0.70)  LDD0538  [17]
 LDCM0222  AC106 HCT 116 C169(1.70); C153(1.70); C174(1.70); C209(0.64)  LDD0539  [17]
 LDCM0223  AC107 HCT 116 C169(1.39); C153(1.39); C174(1.39); C209(0.61)  LDD0540  [17]
 LDCM0224  AC108 HCT 116 C169(1.11); C153(1.11); C174(1.11); C209(0.61)  LDD0541  [17]
 LDCM0225  AC109 HCT 116 C169(0.89); C153(0.89); C174(0.89); C209(0.58)  LDD0542  [17]
 LDCM0226  AC11 HCT 116 C120(0.93); C169(0.77); C177(1.10); C152(0.94)  LDD0543  [17]
 LDCM0227  AC110 HCT 116 C169(0.87); C153(0.87); C174(0.87); C209(0.61)  LDD0544  [17]
 LDCM0228  AC111 HCT 116 C169(1.40); C153(1.40); C174(1.40); C209(0.56)  LDD0545  [17]
 LDCM0229  AC112 HCT 116 C169(1.07); C153(1.07); C174(1.07); C209(0.63)  LDD0546  [17]
 LDCM0230  AC113 HCT 116 C177(0.74); C153(0.74); C156(0.70); C174(0.73)  LDD0547  [17]
 LDCM0231  AC114 HCT 116 C177(0.78); C153(0.93); C156(0.73); C174(1.20)  LDD0548  [17]
 LDCM0232  AC115 HCT 116 C177(0.81); C153(0.98); C156(0.85); C174(1.02)  LDD0549  [17]
 LDCM0233  AC116 HCT 116 C177(0.69); C153(0.92); C156(0.68); C174(1.56)  LDD0550  [17]
 LDCM0234  AC117 HCT 116 C177(1.01); C153(0.89); C156(1.05); C174(0.99)  LDD0551  [17]
 LDCM0235  AC118 HCT 116 C177(0.90); C153(0.89); C156(0.98); C174(0.99)  LDD0552  [17]
 LDCM0236  AC119 HCT 116 C177(0.82); C153(0.94); C156(0.73); C174(1.31)  LDD0553  [17]
 LDCM0237  AC12 HCT 116 C120(1.03); C169(1.11); C177(0.93); C152(1.66)  LDD0554  [17]
 LDCM0238  AC120 HCT 116 C177(0.77); C153(0.80); C156(0.78); C174(1.64)  LDD0555  [17]
 LDCM0239  AC121 HCT 116 C177(0.79); C153(1.01); C156(0.71); C174(0.91)  LDD0556  [17]
 LDCM0240  AC122 HCT 116 C177(0.84); C153(0.94); C156(0.82); C174(0.78)  LDD0557  [17]
 LDCM0241  AC123 HCT 116 C177(0.78); C153(0.81); C156(0.75); C174(1.28)  LDD0558  [17]
 LDCM0242  AC124 HCT 116 C177(0.84); C153(0.93); C156(0.57); C174(1.02)  LDD0559  [17]
 LDCM0243  AC125 HCT 116 C177(0.78); C153(0.90); C156(0.75); C174(1.12)  LDD0560  [17]
 LDCM0244  AC126 HCT 116 C177(0.73); C153(0.98); C156(0.66); C174(0.95)  LDD0561  [17]
 LDCM0245  AC127 HCT 116 C177(0.80); C153(0.87); C156(0.72); C174(0.87)  LDD0562  [17]
 LDCM0246  AC128 HCT 116 C166(0.50); C156(0.50); C209(0.76); C221(1.11)  LDD0563  [17]
 LDCM0247  AC129 HCT 116 C166(0.32); C156(0.32); C209(0.70); C221(0.94)  LDD0564  [17]
 LDCM0249  AC130 HCT 116 C166(0.29); C156(0.29); C209(0.68); C221(0.95)  LDD0566  [17]
 LDCM0250  AC131 HCT 116 C166(0.40); C156(0.40); C209(0.61); C221(0.95)  LDD0567  [17]
 LDCM0251  AC132 HCT 116 C166(0.30); C156(0.30); C209(0.54); C221(0.80)  LDD0568  [17]
 LDCM0252  AC133 HCT 116 C166(0.29); C156(0.29); C209(0.59); C221(0.91)  LDD0569  [17]
 LDCM0253  AC134 HCT 116 C166(0.42); C156(0.42); C209(0.57); C221(0.90)  LDD0570  [17]
 LDCM0254  AC135 HCT 116 C166(0.58); C156(0.58); C209(0.64); C221(0.98)  LDD0571  [17]
 LDCM0255  AC136 HCT 116 C166(0.50); C156(0.50); C209(0.52); C221(0.82)  LDD0572  [17]
 LDCM0256  AC137 HCT 116 C166(0.40); C156(0.40); C209(0.52); C221(0.98)  LDD0573  [17]
 LDCM0257  AC138 HCT 116 C166(0.48); C156(0.48); C209(0.64); C221(1.18)  LDD0574  [17]
 LDCM0258  AC139 HCT 116 C166(0.47); C156(0.47); C209(0.41); C221(0.91)  LDD0575  [17]
 LDCM0259  AC14 HCT 116 C120(1.90); C169(1.04); C177(1.17); C152(1.44)  LDD0576  [17]
 LDCM0260  AC140 HCT 116 C166(0.39); C156(0.39); C209(0.48); C221(1.02)  LDD0577  [17]
 LDCM0261  AC141 HCT 116 C166(0.61); C156(0.61); C209(0.46); C221(0.94)  LDD0578  [17]
 LDCM0262  AC142 HCT 116 C166(0.40); C156(0.40); C209(0.45); C221(0.91)  LDD0579  [17]
 LDCM0263  AC143 HCT 116 C120(1.01); C166(0.79); C169(0.78); C713(0.56)  LDD0580  [17]
 LDCM0264  AC144 HCT 116 C713(0.81); C717(0.81); C120(0.82); C88(0.88)  LDD0581  [17]
 LDCM0265  AC145 HCT 116 C713(0.69); C717(0.69); C120(0.79); C83(0.80)  LDD0582  [17]
 LDCM0266  AC146 HCT 116 C713(0.68); C717(0.68); C169(0.86); C174(0.86)  LDD0583  [17]
 LDCM0267  AC147 HCT 116 C628(0.90); C166(0.90); C91(0.91); C88(0.92)  LDD0584  [17]
 LDCM0268  AC148 HCT 116 C166(0.85); C713(0.90); C717(0.90); C88(0.98)  LDD0585  [17]
 LDCM0269  AC149 HCT 116 C713(0.65); C717(0.65); C209(0.85); C166(0.91)  LDD0586  [17]
 LDCM0270  AC15 HCT 116 C713(0.48); C717(0.48); C91(0.76); C174(0.82)  LDD0587  [17]
 LDCM0271  AC150 HCT 116 C713(0.59); C717(0.59); C169(0.76); C174(0.76)  LDD0588  [17]
 LDCM0272  AC151 HCT 116 C713(0.72); C717(0.72); C83(0.78); C88(0.88)  LDD0589  [17]
 LDCM0273  AC152 HCT 116 C713(0.76); C717(0.76); C232(0.97); C209(1.04)  LDD0590  [17]
 LDCM0274  AC153 HCT 116 C713(0.73); C717(0.73); C169(0.82); C174(0.82)  LDD0591  [17]
 LDCM0621  AC154 HCT 116 C120(1.30); C166(0.91); C169(0.93); C153(1.29)  LDD2158  [17]
 LDCM0622  AC155 HCT 116 C120(0.74); C166(0.85); C169(1.15); C153(1.46)  LDD2159  [17]
 LDCM0623  AC156 HCT 116 C120(1.26); C166(1.15); C169(0.89); C153(1.60)  LDD2160  [17]
 LDCM0624  AC157 HCT 116 C120(1.02); C166(1.07); C169(0.86); C153(1.60)  LDD2161  [17]
 LDCM0276  AC17 HCT 116 C88(0.36); C152(0.40); C120(0.41); C91(0.42)  LDD0593  [17]
 LDCM0277  AC18 HCT 116 C152(0.46); C88(0.47); C91(0.49); C169(0.53)  LDD0594  [17]
 LDCM0278  AC19 HCT 116 C88(0.40); C169(0.42); C91(0.43); C152(0.45)  LDD0595  [17]
 LDCM0279  AC2 HCT 116 C713(0.63); C209(0.75); C717(0.76); C229(0.80)  LDD0596  [17]
 LDCM0280  AC20 HCT 116 C169(0.40); C152(0.43); C88(0.44); C156(0.53)  LDD0597  [17]
 LDCM0281  AC21 HCT 116 C169(0.44); C152(0.44); C120(0.45); C88(0.47)  LDD0598  [17]
 LDCM0282  AC22 HCT 116 C88(0.33); C120(0.35); C169(0.38); C91(0.40)  LDD0599  [17]
 LDCM0283  AC23 HCT 116 C88(0.32); C120(0.34); C174(0.38); C152(0.38)  LDD0600  [17]
 LDCM0284  AC24 HCT 116 C169(0.52); C88(0.56); C152(0.60); C174(0.61)  LDD0601  [17]
 LDCM0285  AC25 HCT 116 C120(0.64); C91(0.64); C209(0.76); C177(0.81)  LDD0602  [17]
 LDCM0286  AC26 HCT 116 C209(0.63); C717(0.68); C120(0.78); C91(0.78)  LDD0603  [17]
 LDCM0287  AC27 HCT 116 C120(0.62); C91(0.62); C717(0.65); C209(0.68)  LDD0604  [17]
 LDCM0288  AC28 HCT 116 C209(0.56); C717(0.63); C120(0.67); C91(0.67)  LDD0605  [17]
 LDCM0289  AC29 HCT 116 C209(0.64); C717(0.72); C177(0.77); C153(0.77)  LDD0606  [17]
 LDCM0290  AC3 HCT 116 C713(0.54); C717(0.71); C209(0.76); C229(0.79)  LDD0607  [17]
 LDCM0291  AC30 HCT 116 C209(0.60); C717(0.67); C120(0.81); C91(0.81)  LDD0608  [17]
 LDCM0292  AC31 HCT 116 C209(0.52); C120(0.63); C91(0.63); C717(0.74)  LDD0609  [17]
 LDCM0293  AC32 HCT 116 C209(0.52); C717(0.58); C120(0.82); C91(0.82)  LDD0610  [17]
 LDCM0294  AC33 HCT 116 C209(0.46); C717(0.58); C120(0.88); C91(0.88)  LDD0611  [17]
 LDCM0295  AC34 HCT 116 C717(0.57); C209(0.58); C177(0.81); C153(0.81)  LDD0612  [17]
 LDCM0296  AC35 HCT 116 C713(0.70); C717(0.70); C209(0.96); C177(0.96)  LDD0613  [17]
 LDCM0297  AC36 HCT 116 C713(0.83); C717(0.83); C224(0.89); C229(0.96)  LDD0614  [17]
 LDCM0298  AC37 HCT 116 C65(0.91); C68(0.91); C713(0.97); C717(0.97)  LDD0615  [17]
 LDCM0299  AC38 HCT 116 C65(0.86); C68(0.86); C232(0.97); C209(0.98)  LDD0616  [17]
 LDCM0300  AC39 HCT 116 C713(0.48); C717(0.48); C65(0.81); C68(0.81)  LDD0617  [17]
 LDCM0301  AC4 HCT 116 C713(0.51); C717(0.62); C209(0.80); C174(0.82)  LDD0618  [17]
 LDCM0302  AC40 HCT 116 C713(0.69); C717(0.69); C209(0.83); C65(0.86)  LDD0619  [17]
 LDCM0303  AC41 HCT 116 C713(0.57); C717(0.57); C209(0.60); C65(0.76)  LDD0620  [17]
 LDCM0304  AC42 HCT 116 C209(0.46); C713(0.62); C717(0.62); C65(0.81)  LDD0621  [17]
 LDCM0305  AC43 HCT 116 C209(0.49); C713(0.60); C717(0.60); C65(0.82)  LDD0622  [17]
 LDCM0306  AC44 HCT 116 C209(0.56); C713(0.58); C717(0.58); C65(0.75)  LDD0623  [17]
 LDCM0307  AC45 HCT 116 C209(0.58); C713(0.70); C717(0.70); C65(0.79)  LDD0624  [17]
 LDCM0308  AC46 HCT 116 C717(0.68); C209(0.84); C68(0.85); C65(0.87)  LDD0625  [17]
 LDCM0309  AC47 HCT 116 C717(0.65); C209(0.81); C229(0.95); C628(1.00)  LDD0626  [17]
 LDCM0310  AC48 HCT 116 C717(0.65); C209(0.84); C229(0.89); C224(0.95)  LDD0627  [17]
 LDCM0311  AC49 HCT 116 C209(0.89); C229(0.89); C628(0.95); C65(0.98)  LDD0628  [17]
 LDCM0312  AC5 HCT 116 C713(0.34); C717(0.43); C156(0.74); C209(0.76)  LDD0629  [17]
 LDCM0313  AC50 HCT 116 C717(0.76); C209(0.86); C628(1.01); C229(1.04)  LDD0630  [17]
 LDCM0314  AC51 HCT 116 C209(0.84); C83(0.94); C88(0.94); C91(0.94)  LDD0631  [17]
 LDCM0315  AC52 HCT 116 C209(0.75); C229(0.90); C717(0.93); C628(0.97)  LDD0632  [17]
 LDCM0316  AC53 HCT 116 C209(0.81); C717(0.92); C232(0.97); C229(0.97)  LDD0633  [17]
 LDCM0317  AC54 HCT 116 C717(0.72); C209(0.86); C229(0.91); C224(0.99)  LDD0634  [17]
 LDCM0318  AC55 HCT 116 C209(0.83); C65(0.89); C717(0.93); C229(1.07)  LDD0635  [17]
 LDCM0319  AC56 HCT 116 C209(0.99); C229(1.11); C224(1.21); C628(1.22)  LDD0636  [17]
 LDCM0320  AC57 HCT 116 C229(0.80); C209(0.80); C83(0.81); C221(0.82)  LDD0637  [17]
 LDCM0321  AC58 HCT 116 C221(0.88); C713(0.89); C229(0.90); C65(0.93)  LDD0638  [17]
 LDCM0322  AC59 HCT 116 C229(0.80); C209(0.82); C224(0.90); C221(0.91)  LDD0639  [17]
 LDCM0323  AC6 HCT 116 C713(0.71); C717(0.71); C91(0.80); C88(0.91)  LDD0640  [17]
 LDCM0324  AC60 HCT 116 C229(0.79); C209(0.82); C232(0.85); C224(0.89)  LDD0641  [17]
 LDCM0325  AC61 HCT 116 C83(0.76); C209(0.80); C229(0.87); C224(0.89)  LDD0642  [17]
 LDCM0326  AC62 HCT 116 C209(0.75); C83(0.78); C229(0.83); C88(0.86)  LDD0643  [17]
 LDCM0327  AC63 HCT 116 C229(0.78); C209(0.81); C224(0.84); C221(0.88)  LDD0644  [17]
 LDCM0328  AC64 HCT 116 C209(0.73); C229(0.79); C221(0.81); C232(0.84)  LDD0645  [17]
 LDCM0329  AC65 HCT 116 C209(0.66); C221(0.67); C229(0.68); C224(0.73)  LDD0646  [17]
 LDCM0330  AC66 HCT 116 C209(0.70); C221(0.71); C232(0.73); C229(0.74)  LDD0647  [17]
 LDCM0331  AC67 HCT 116 C209(0.62); C221(0.69); C229(0.70); C224(0.73)  LDD0648  [17]
 LDCM0332  AC68 HCT 116 C713(0.75); C717(0.82); C229(1.04); C209(1.05)  LDD0649  [17]
 LDCM0333  AC69 HCT 116 C717(0.88); C628(0.89); C209(1.08); C117(1.10)  LDD0650  [17]
 LDCM0334  AC7 HCT 116 C713(0.55); C717(0.55); C91(0.66); C153(0.80)  LDD0651  [17]
 LDCM0335  AC70 HCT 116 C65(0.81); C68(0.81); C717(0.82); C117(0.82)  LDD0652  [17]
 LDCM0336  AC71 HCT 116 C65(0.84); C68(0.84); C628(0.85); C209(0.97)  LDD0653  [17]
 LDCM0337  AC72 HCT 116 C229(0.95); C209(0.97); C717(0.97); C221(1.01)  LDD0654  [17]
 LDCM0338  AC73 HCT 116 C120(1.83); C166(2.18); C177(2.23); C717(0.74)  LDD0655  [17]
 LDCM0339  AC74 HCT 116 C717(0.84); C117(0.89); C209(0.96); C628(1.00)  LDD0656  [17]
 LDCM0340  AC75 HCT 116 C717(0.73); C209(0.97); C628(1.05); C117(1.11)  LDD0657  [17]
 LDCM0341  AC76 HCT 116 C209(0.85); C717(0.90); C628(0.94); C65(0.99)  LDD0658  [17]
 LDCM0342  AC77 HCT 116 C717(0.81); C713(0.88); C209(0.99); C628(1.00)  LDD0659  [17]
 LDCM0343  AC78 HCT 116 C209(0.85); C717(0.85); C628(0.89); C713(0.95)  LDD0660  [17]
 LDCM0344  AC79 HCT 116 C117(0.73); C628(0.83); C209(0.87); C65(0.89)  LDD0661  [17]
 LDCM0345  AC8 HCT 116 C713(0.50); C717(0.50); C174(0.67); C91(0.85)  LDD0662  [17]
 LDCM0346  AC80 HCT 116 C209(0.86); C117(0.88); C717(0.99); C232(1.03)  LDD0663  [17]
 LDCM0347  AC81 HCT 116 C209(0.89); C117(1.02); C65(1.02); C68(1.02)  LDD0664  [17]
 LDCM0348  AC82 HCT 116 C717(0.65); C117(0.77); C628(0.90); C209(0.92)  LDD0665  [17]
 LDCM0349  AC83 HCT 116 C717(0.15); C169(0.49); C156(0.49); C120(0.73)  LDD0666  [17]
 LDCM0350  AC84 HCT 116 C717(0.32); C169(0.63); C156(0.63); C221(0.69)  LDD0667  [17]
 LDCM0351  AC85 HCT 116 C717(0.15); C169(0.41); C156(0.41); C120(0.58)  LDD0668  [17]
 LDCM0352  AC86 HCT 116 C717(0.12); C169(0.35); C156(0.35); C120(0.47)  LDD0669  [17]
 LDCM0353  AC87 HCT 116 C717(0.14); C169(0.35); C156(0.35); C120(0.52)  LDD0670  [17]
 LDCM0354  AC88 HCT 116 C717(0.14); C169(0.47); C156(0.47); C120(0.52)  LDD0671  [17]
 LDCM0355  AC89 HCT 116 C717(0.13); C169(0.34); C156(0.34); C120(0.48)  LDD0672  [17]
 LDCM0357  AC90 HCT 116 C717(0.17); C169(0.63); C156(0.63); C120(0.63)  LDD0674  [17]
 LDCM0358  AC91 HCT 116 C717(0.13); C169(0.48); C156(0.48); C120(0.54)  LDD0675  [17]
 LDCM0359  AC92 HCT 116 C717(0.17); C169(0.38); C156(0.38); C120(0.53)  LDD0676  [17]
 LDCM0360  AC93 HCT 116 C717(0.22); C169(0.52); C156(0.52); C221(0.68)  LDD0677  [17]
 LDCM0361  AC94 HCT 116 C717(0.20); C169(0.36); C156(0.36); C120(0.66)  LDD0678  [17]
 LDCM0362  AC95 HCT 116 C717(0.12); C169(0.34); C156(0.34); C120(0.53)  LDD0679  [17]
 LDCM0363  AC96 HCT 116 C717(0.23); C169(0.39); C156(0.39); C177(0.73)  LDD0680  [17]
 LDCM0364  AC97 HCT 116 C717(0.09); C169(0.38); C156(0.38); C120(0.58)  LDD0681  [17]
 LDCM0365  AC98 HCT 116 C229(0.63); C628(0.64); C221(0.78); C224(0.79)  LDD0682  [17]
 LDCM0366  AC99 HCT 116 C628(0.58); C65(0.62); C224(0.68); C229(0.69)  LDD0683  [17]
 LDCM0545  Acetamide MDA-MB-231 C209(0.47); C232(0.51); C124(0.44)  LDD2138  [6]
 LDCM0520  AKOS000195272 MDA-MB-231 C209(1.00); C232(0.99)  LDD2113  [6]
 LDCM0248  AKOS034007472 HCT 116 C120(1.08); C169(0.90); C177(1.05); C152(1.07)  LDD0565  [17]
 LDCM0356  AKOS034007680 HCT 116 C91(0.53); C713(0.54); C717(0.54); C153(0.75)  LDD0673  [17]
 LDCM0275  AKOS034007705 HCT 116 C713(0.55); C717(0.55); C174(0.80); C91(0.83)  LDD0592  [17]
 LDCM0020  ARS-1620 HCC44 C224(0.88); C229(0.88); C209(0.87); C221(0.85)  LDD0078  [17]
 LDCM0498  BS-3668 MDA-MB-231 C209(0.65); C232(0.78); C124(0.43)  LDD2091  [6]
 LDCM0088  C45 HEK-293T 15.09  LDD0201  [11]
 LDCM0108  Chloroacetamide HeLa C628(0.00); C232(0.00); C65(0.00); H341(0.00)  LDD0222  [31]
 LDCM0632  CL-Sc Hep-G2 C232(1.29); C65(0.14)  LDD2227  [25]
 LDCM0367  CL1 HCT 116 C717(0.69); C209(0.82); C229(0.86); C221(0.88)  LDD0684  [17]
 LDCM0368  CL10 HCT 116 C209(0.71); C717(0.84); C91(0.85); C177(0.87)  LDD0685  [17]
 LDCM0369  CL100 HCT 116 C713(0.58); C717(0.67); C209(0.74); C229(0.79)  LDD0686  [17]
 LDCM0370  CL101 HCT 116 C713(0.51); C717(0.51); C91(0.75); C232(0.96)  LDD0687  [17]
 LDCM0371  CL102 HCT 116 C91(0.41); C713(0.66); C717(0.66); C232(0.88)  LDD0688  [17]
 LDCM0372  CL103 HCT 116 C91(0.45); C713(0.66); C717(0.66); C153(0.97)  LDD0689  [17]
 LDCM0373  CL104 HCT 116 C91(0.51); C713(0.84); C717(0.84); C232(0.89)  LDD0690  [17]
 LDCM0374  CL105 HCT 116 C88(0.22); C120(0.24); C91(0.26); C169(0.27)  LDD0691  [17]
 LDCM0375  CL106 HCT 116 C88(0.27); C120(0.29); C91(0.32); C174(0.33)  LDD0692  [17]
 LDCM0376  CL107 HCT 116 C120(0.25); C88(0.29); C91(0.30); C169(0.35)  LDD0693  [17]
 LDCM0377  CL108 HCT 116 C88(0.25); C120(0.28); C91(0.30); C169(0.36)  LDD0694  [17]
 LDCM0378  CL109 HCT 116 C120(0.20); C88(0.23); C91(0.24); C174(0.31)  LDD0695  [17]
 LDCM0379  CL11 HCT 116 C169(0.56); C152(0.56); C177(0.64); C153(0.64)  LDD0696  [17]
 LDCM0380  CL110 HCT 116 C88(0.22); C120(0.22); C91(0.27); C174(0.29)  LDD0697  [17]
 LDCM0381  CL111 HCT 116 C88(0.26); C120(0.27); C91(0.33); C169(0.42)  LDD0698  [17]
 LDCM0382  CL112 HCT 116 C209(0.66); C120(0.68); C91(0.68); C229(0.81)  LDD0699  [17]
 LDCM0383  CL113 HCT 116 C209(0.54); C717(0.60); C229(0.91); C224(1.02)  LDD0700  [17]
 LDCM0384  CL114 HCT 116 C209(0.56); C717(0.77); C229(0.84); C224(0.87)  LDD0701  [17]
 LDCM0385  CL115 HCT 116 C209(0.52); C717(0.68); C229(0.93); C232(1.00)  LDD0702  [17]
 LDCM0386  CL116 HCT 116 C209(0.54); C717(0.78); C232(0.99); C229(1.00)  LDD0703  [17]
 LDCM0387  CL117 HCT 116 C209(0.62); C713(0.77); C717(0.77); C224(0.95)  LDD0704  [17]
 LDCM0388  CL118 HCT 116 C713(0.65); C717(0.65); C209(0.73); C65(0.91)  LDD0705  [17]
 LDCM0389  CL119 HCT 116 C209(0.57); C713(0.92); C717(0.92); C65(0.97)  LDD0706  [17]
 LDCM0390  CL12 HCT 116 C209(0.68); C169(0.76); C152(0.76); C91(0.96)  LDD0707  [17]
 LDCM0391  CL120 HCT 116 C209(0.51); C713(0.56); C717(0.56); C65(0.86)  LDD0708  [17]
 LDCM0392  CL121 HCT 116 C68(0.94); C209(0.99); C717(1.05); C232(1.10)  LDD0709  [17]
 LDCM0393  CL122 HCT 116 C209(0.88); C229(0.88); C628(0.89); C221(0.89)  LDD0710  [17]
 LDCM0394  CL123 HCT 116 C717(0.78); C628(0.78); C65(0.83); C229(0.84)  LDD0711  [17]
 LDCM0395  CL124 HCT 116 C209(0.86); C717(0.86); C229(0.92); C628(0.95)  LDD0712  [17]
 LDCM0396  CL125 HCT 116 C83(0.71); C229(0.76); C209(0.76); C232(0.81)  LDD0713  [17]
 LDCM0397  CL126 HCT 116 C229(0.80); C224(0.85); C221(0.89); C232(0.91)  LDD0714  [17]
 LDCM0398  CL127 HCT 116 C83(0.78); C88(0.83); C209(0.84); C229(0.86)  LDD0715  [17]
 LDCM0399  CL128 HCT 116 C83(0.72); C120(0.81); C88(0.83); C221(0.83)  LDD0716  [17]
 LDCM0400  CL13 HCT 116 C209(0.69); C717(0.92); C83(0.95); C229(1.04)  LDD0717  [17]
 LDCM0401  CL14 HCT 116 C209(0.69); C717(0.72); C83(0.83); C120(0.86)  LDD0718  [17]
 LDCM0402  CL15 HCT 116 C209(0.63); C717(0.71); C117(0.81); C166(0.84)  LDD0719  [17]
 LDCM0403  CL16 HCT 116 C83(0.61); C120(0.72); C91(0.76); C209(0.77)  LDD0720  [17]
 LDCM0404  CL17 HCT 116 C88(0.67); C83(0.91); C209(0.99); C224(0.99)  LDD0721  [17]
 LDCM0405  CL18 HCT 116 C88(0.83); C83(0.85); C120(0.88); C91(0.88)  LDD0722  [17]
 LDCM0406  CL19 HCT 116 C209(0.94); C88(1.02); C153(1.02); C83(1.08)  LDD0723  [17]
 LDCM0407  CL2 HCT 116 C717(0.68); C65(0.93); C68(0.93); C224(0.94)  LDD0724  [17]
 LDCM0408  CL20 HCT 116 C209(0.87); C153(0.91); C88(0.96); C83(0.99)  LDD0725  [17]
 LDCM0409  CL21 HCT 116 C88(0.71); C209(0.85); C153(0.95); C83(0.99)  LDD0726  [17]
 LDCM0410  CL22 HCT 116 C120(0.76); C91(0.76); C83(0.94); C174(0.99)  LDD0727  [17]
 LDCM0411  CL23 HCT 116 C88(0.65); C83(0.79); C152(0.88); C177(0.93)  LDD0728  [17]
 LDCM0412  CL24 HCT 116 C120(0.60); C177(1.07); C152(1.17); C153(0.80)  LDD0729  [17]
 LDCM0413  CL25 HCT 116 C120(0.60); C177(1.00); C152(1.13); C153(0.83)  LDD0730  [17]
 LDCM0414  CL26 HCT 116 C120(1.15); C177(1.34); C152(1.50); C153(1.25)  LDD0731  [17]
 LDCM0415  CL27 HCT 116 C120(0.75); C177(0.99); C152(1.06); C153(0.88)  LDD0732  [17]
 LDCM0416  CL28 HCT 116 C120(0.81); C177(1.02); C152(1.09); C153(0.92)  LDD0733  [17]
 LDCM0417  CL29 HCT 116 C120(0.72); C177(1.21); C152(1.32); C153(0.80)  LDD0734  [17]
 LDCM0418  CL3 HCT 116 C120(1.00); C166(1.24); C169(1.07); C177(2.12)  LDD0735  [17]
 LDCM0419  CL30 HCT 116 C120(0.84); C177(1.06); C152(1.10); C153(1.35)  LDD0736  [17]
 LDCM0420  CL31 HCT 116 C177(1.15); C152(1.15); C209(0.92); C221(0.97)  LDD0737  [17]
 LDCM0421  CL32 HCT 116 C120(0.69); C169(0.76); C152(1.25); C156(1.00)  LDD0738  [17]
 LDCM0422  CL33 HCT 116 C120(0.61); C169(0.46); C152(0.95); C156(0.71)  LDD0739  [17]
 LDCM0423  CL34 HCT 116 C120(1.06); C169(0.93); C152(1.32); C156(1.12)  LDD0740  [17]
 LDCM0424  CL35 HCT 116 C120(0.60); C169(0.85); C152(0.89); C156(0.87)  LDD0741  [17]
 LDCM0425  CL36 HCT 116 C120(2.01); C169(0.95); C152(2.16); C156(1.56)  LDD0742  [17]
 LDCM0426  CL37 HCT 116 C120(0.87); C169(0.76); C152(0.86); C156(0.81)  LDD0743  [17]
 LDCM0428  CL39 HCT 116 C120(0.84); C169(0.67); C152(1.20); C156(0.93)  LDD0745  [17]
 LDCM0429  CL4 HCT 116 C120(0.90); C166(0.96); C169(1.24); C177(1.87)  LDD0746  [17]
 LDCM0430  CL40 HCT 116 C120(0.96); C169(0.49); C152(1.21); C156(0.85)  LDD0747  [17]
 LDCM0431  CL41 HCT 116 C120(1.42); C169(0.87); C152(1.51); C156(1.19)  LDD0748  [17]
 LDCM0432  CL42 HCT 116 C120(1.31); C169(0.76); C152(0.96); C156(0.86)  LDD0749  [17]
 LDCM0433  CL43 HCT 116 C120(1.12); C169(0.64); C152(0.85); C156(0.74)  LDD0750  [17]
 LDCM0434  CL44 HCT 116 C120(0.68); C169(0.65); C152(0.81); C156(0.73)  LDD0751  [17]
 LDCM0435  CL45 HCT 116 C120(0.68); C169(0.68); C152(0.94); C156(0.81)  LDD0752  [17]
 LDCM0436  CL46 HCT 116 C120(0.85); C169(0.96); C177(0.83); C117(0.62)  LDD0753  [17]
 LDCM0437  CL47 HCT 116 C120(0.93); C169(1.19); C177(0.99); C117(0.85)  LDD0754  [17]
 LDCM0438  CL48 HCT 116 C120(1.02); C169(1.03); C177(0.93); C117(0.96)  LDD0755  [17]
 LDCM0439  CL49 HCT 116 C120(1.09); C169(1.10); C177(1.07); C117(1.71)  LDD0756  [17]
 LDCM0440  CL5 HCT 116 C120(1.11); C166(1.32); C169(1.03); C177(1.40)  LDD0757  [17]
 LDCM0441  CL50 HCT 116 C120(1.20); C169(1.50); C177(1.09); C117(1.52)  LDD0758  [17]
 LDCM0442  CL51 HCT 116 C120(1.12); C169(1.14); C177(0.90); C117(0.95)  LDD0759  [17]
 LDCM0443  CL52 HCT 116 C120(1.08); C169(1.38); C177(0.99); C117(1.17)  LDD0760  [17]
 LDCM0444  CL53 HCT 116 C120(1.41); C169(1.22); C177(1.41); C117(1.66)  LDD0761  [17]
 LDCM0445  CL54 HCT 116 C120(1.05); C169(1.13); C177(0.93); C117(1.21)  LDD0762  [17]
 LDCM0446  CL55 HCT 116 C120(1.19); C169(1.15); C177(0.94); C117(1.02)  LDD0763  [17]
 LDCM0447  CL56 HCT 116 C120(1.30); C169(1.25); C177(1.28); C117(1.51)  LDD0764  [17]
 LDCM0448  CL57 HCT 116 C120(1.25); C169(1.11); C177(1.12); C117(0.89)  LDD0765  [17]
 LDCM0449  CL58 HCT 116 C120(1.16); C169(1.50); C177(1.04); C117(1.14)  LDD0766  [17]
 LDCM0450  CL59 HCT 116 C120(1.08); C169(1.22); C177(0.87); C117(1.14)  LDD0767  [17]
 LDCM0451  CL6 HCT 116 C120(1.11); C166(1.65); C169(0.98); C177(1.99)  LDD0768  [17]
 LDCM0452  CL60 HCT 116 C120(1.23); C169(1.24); C177(1.01); C117(1.34)  LDD0769  [17]
 LDCM0453  CL61 HCT 116 C166(0.87); C169(0.98); C177(1.18); C152(0.69)  LDD0770  [17]
 LDCM0454  CL62 HCT 116 C166(1.20); C169(0.96); C177(1.03); C152(0.59)  LDD0771  [17]
 LDCM0455  CL63 HCT 116 C166(0.92); C169(0.85); C177(0.82); C152(0.83)  LDD0772  [17]
 LDCM0456  CL64 HCT 116 C166(0.73); C169(0.95); C177(1.07); C152(0.92)  LDD0773  [17]
 LDCM0457  CL65 HCT 116 C166(0.78); C169(0.83); C177(0.95); C152(0.65)  LDD0774  [17]
 LDCM0458  CL66 HCT 116 C166(1.04); C169(0.85); C177(0.90); C152(0.58)  LDD0775  [17]
 LDCM0459  CL67 HCT 116 C166(0.87); C169(0.69); C177(0.70); C152(0.50)  LDD0776  [17]
 LDCM0460  CL68 HCT 116 C166(1.02); C169(0.86); C177(0.94); C152(0.54)  LDD0777  [17]
 LDCM0461  CL69 HCT 116 C166(1.01); C169(0.99); C177(1.14); C152(0.68)  LDD0778  [17]
 LDCM0462  CL7 HCT 116 C120(1.37); C166(1.47); C169(0.98); C177(1.15)  LDD0779  [17]
 LDCM0463  CL70 HCT 116 C166(0.66); C169(0.73); C177(0.85); C152(0.54)  LDD0780  [17]
 LDCM0464  CL71 HCT 116 C166(1.05); C169(0.77); C177(0.75); C152(0.54)  LDD0781  [17]
 LDCM0465  CL72 HCT 116 C166(0.92); C169(0.71); C177(0.69); C152(0.55)  LDD0782  [17]
 LDCM0466  CL73 HCT 116 C166(0.78); C169(0.70); C177(0.76); C152(0.52)  LDD0783  [17]
 LDCM0467  CL74 HCT 116 C166(0.95); C169(0.68); C177(0.58); C152(0.62)  LDD0784  [17]
 LDCM0469  CL76 HCT 116 C177(1.37); C117(1.15); C153(1.37); C209(1.02)  LDD0786  [17]
 LDCM0470  CL77 HCT 116 C177(1.29); C117(0.93); C153(1.29); C209(1.28)  LDD0787  [17]
 LDCM0471  CL78 HCT 116 C177(1.39); C117(0.86); C153(1.39); C209(0.93)  LDD0788  [17]
 LDCM0472  CL79 HCT 116 C177(1.67); C117(1.15); C153(1.67); C209(0.99)  LDD0789  [17]
 LDCM0473  CL8 HCT 116 C120(1.36); C166(1.13); C169(0.72); C177(0.86)  LDD0790  [17]
 LDCM0474  CL80 HCT 116 C177(0.93); C117(1.09); C153(0.93); C209(1.03)  LDD0791  [17]
 LDCM0475  CL81 HCT 116 C177(1.06); C117(1.02); C153(1.06); C209(0.89)  LDD0792  [17]
 LDCM0476  CL82 HCT 116 C177(0.92); C117(1.13); C153(0.92); C209(0.95)  LDD0793  [17]
 LDCM0477  CL83 HCT 116 C177(1.50); C117(0.93); C153(1.50); C209(0.86)  LDD0794  [17]
 LDCM0478  CL84 HCT 116 C177(1.01); C117(1.07); C153(1.01); C209(0.82)  LDD0795  [17]
 LDCM0479  CL85 HCT 116 C177(0.84); C117(1.31); C153(0.84); C209(0.75)  LDD0796  [17]
 LDCM0480  CL86 HCT 116 C177(1.41); C117(1.29); C153(1.41); C209(0.74)  LDD0797  [17]
 LDCM0481  CL87 HCT 116 C177(1.78); C117(1.12); C153(1.78); C209(0.73)  LDD0798  [17]
 LDCM0482  CL88 HCT 116 C177(1.78); C117(1.04); C153(1.78); C209(0.84)  LDD0799  [17]
 LDCM0483  CL89 HCT 116 C177(1.11); C117(1.09); C153(1.11); C209(0.95)  LDD0800  [17]
 LDCM0484  CL9 HCT 116 C120(0.81); C166(1.85); C169(0.66); C177(1.53)  LDD0801  [17]
 LDCM0485  CL90 HCT 116 C177(1.06); C117(0.95); C153(1.06); C209(0.72)  LDD0802  [17]
 LDCM0486  CL91 HCT 116 C120(1.44); C166(1.61); C169(20.00); C177(20.00)  LDD0803  [17]
 LDCM0487  CL92 HCT 116 C120(1.43); C166(1.37); C169(1.90); C177(1.63)  LDD0804  [17]
 LDCM0488  CL93 HCT 116 C120(0.99); C166(0.99); C169(0.90); C177(0.90)  LDD0805  [17]
 LDCM0489  CL94 HCT 116 C120(1.27); C166(1.19); C169(1.56); C177(1.33)  LDD0806  [17]
 LDCM0490  CL95 HCT 116 C120(1.09); C166(0.84); C169(0.90); C177(0.92)  LDD0807  [17]
 LDCM0491  CL96 HCT 116 C120(1.31); C166(1.16); C169(1.07); C177(1.05)  LDD0808  [17]
 LDCM0492  CL97 HCT 116 C120(1.15); C166(1.38); C169(2.35); C177(1.73)  LDD0809  [17]
 LDCM0493  CL98 HCT 116 C120(0.97); C166(1.37); C169(1.00); C177(1.09)  LDD0810  [17]
 LDCM0494  CL99 HCT 116 C120(1.00); C166(1.51); C169(1.28); C177(1.12)  LDD0811  [17]
 LDCM0495  E2913 HEK-293T C232(0.90); C209(0.80); C628(1.05); C713(0.89)  LDD1698  [35]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C717(2.75); C224(1.96); C232(1.11); C68(0.84)  LDD1702  [6]
 LDCM0625  F8 Ramos C628(0.94)  LDD2187  [36]
 LDCM0572  Fragment10 Ramos C628(0.57)  LDD2189  [36]
 LDCM0573  Fragment11 Ramos C628(0.92); C124(16.34)  LDD2190  [36]
 LDCM0574  Fragment12 Ramos C628(0.79)  LDD2191  [36]
 LDCM0575  Fragment13 Ramos C628(1.02)  LDD2192  [36]
 LDCM0576  Fragment14 Ramos C628(0.72)  LDD2193  [36]
 LDCM0579  Fragment20 Ramos C628(0.55)  LDD2194  [36]
 LDCM0580  Fragment21 Ramos C628(1.25)  LDD2195  [36]
 LDCM0582  Fragment23 Ramos C628(0.29)  LDD2196  [36]
 LDCM0578  Fragment27 Ramos C628(1.26)  LDD2197  [36]
 LDCM0586  Fragment28 Ramos C628(1.01); C124(1.62)  LDD2198  [36]
 LDCM0588  Fragment30 Ramos C628(1.13)  LDD2199  [36]
 LDCM0589  Fragment31 Ramos C628(1.02)  LDD2200  [36]
 LDCM0590  Fragment32 Ramos C628(0.62)  LDD2201  [36]
 LDCM0468  Fragment33 HCT 116 C166(0.61); C169(0.73); C177(0.84); C152(0.65)  LDD0785  [17]
 LDCM0596  Fragment38 Ramos C628(1.16)  LDD2203  [36]
 LDCM0566  Fragment4 Ramos C628(0.66)  LDD2184  [36]
 LDCM0427  Fragment51 HCT 116 C120(1.04); C169(0.74); C152(1.04); C156(0.89)  LDD0744  [17]
 LDCM0610  Fragment52 Ramos C628(1.14)  LDD2204  [36]
 LDCM0614  Fragment56 Ramos C628(1.30)  LDD2205  [36]
 LDCM0569  Fragment7 Ramos C628(0.47)  LDD2186  [36]
 LDCM0571  Fragment9 Ramos C628(0.65)  LDD2188  [36]
 LDCM0116  HHS-0101 DM93 Y165(0.38); Y449(0.72); Y458(0.78); Y242(0.80)  LDD0264  [15]
 LDCM0117  HHS-0201 DM93 Y449(0.57); Y517(0.67); Y133(0.71); Y369(0.74)  LDD0265  [15]
 LDCM0118  HHS-0301 DM93 Y449(0.57); Y133(0.71); Y369(0.77); Y208(0.84)  LDD0266  [15]
 LDCM0119  HHS-0401 DM93 Y133(0.76); Y517(0.76); Y165(0.77); Y449(0.78)  LDD0267  [15]
 LDCM0120  HHS-0701 DM93 Y165(0.39); Y449(0.69); Y369(0.72); Y208(0.78)  LDD0268  [15]
 LDCM0107  IAA HeLa C628(0.00); H64(0.00); H240(0.00); H344(0.00)  LDD0221  [31]
 LDCM0123  JWB131 DM93 Y133(0.92); Y208(1.04); Y242(0.64); Y449(1.26)  LDD0285  [14]
 LDCM0124  JWB142 DM93 Y133(0.41); Y208(0.73); Y242(0.81); Y449(0.63)  LDD0286  [14]
 LDCM0125  JWB146 DM93 Y133(0.83); Y208(1.09); Y242(0.93); Y449(1.12)  LDD0287  [14]
 LDCM0126  JWB150 DM93 Y133(2.38); Y208(3.70); Y242(2.53); Y449(3.44)  LDD0288  [14]
 LDCM0127  JWB152 DM93 Y133(1.62); Y208(2.23); Y242(1.77); Y449(1.91)  LDD0289  [14]
 LDCM0128  JWB198 DM93 Y133(0.81); Y208(1.51); Y242(1.14); Y449(1.60)  LDD0290  [14]
 LDCM0129  JWB202 DM93 Y133(0.36); Y208(0.57); Y242(0.59); Y449(0.49)  LDD0291  [14]
 LDCM0130  JWB211 DM93 Y133(0.89); Y208(1.14); Y242(0.87); Y449(1.02)  LDD0292  [14]
 LDCM0179  JZ128 PC-3 C232(0.00); C177(0.00); C166(0.00); C156(0.00)  LDD0462  [12]
 LDCM0022  KB02 HCT 116 C221(1.90); C224(1.90); C229(1.49); C68(1.56)  LDD0080  [17]
 LDCM0023  KB03 HCT 116 C221(3.86); C224(3.86); C229(2.37); C68(1.41)  LDD0081  [17]
 LDCM0024  KB05 HCT 116 C221(3.06); C224(3.06); C229(2.00); C68(1.79)  LDD0082  [17]
 LDCM0509  N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide MDA-MB-231 C209(0.93)  LDD2102  [6]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C209(0.85); C232(0.59)  LDD2121  [6]
 LDCM0109  NEM HeLa H240(0.00); H386(0.00); H344(0.00); H341(0.00)  LDD0223  [31]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C209(0.83); C232(0.61); C124(0.50)  LDD2089  [6]
 LDCM0497  Nucleophilic fragment 11b MDA-MB-231 C209(1.21)  LDD2090  [6]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C209(0.84); C232(0.81)  LDD2092  [6]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C209(1.04); C232(2.36)  LDD2093  [6]
 LDCM0501  Nucleophilic fragment 13b MDA-MB-231 C209(1.07); C232(1.10)  LDD2094  [6]
 LDCM0503  Nucleophilic fragment 14b MDA-MB-231 C209(0.52)  LDD2096  [6]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C209(1.09); C124(0.68)  LDD2097  [6]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C209(0.56); C232(0.75); C124(0.44)  LDD2098  [6]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C209(1.03); C232(1.10); C124(0.70)  LDD2099  [6]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C209(0.37); C232(0.55); C124(0.49)  LDD2100  [6]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C209(1.45); C232(1.75)  LDD2101  [6]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C209(0.47); C232(0.96); C124(0.40)  LDD2104  [6]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C209(1.29)  LDD2105  [6]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C209(0.51); C232(0.74)  LDD2106  [6]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C209(0.89); C232(0.86); C124(0.79)  LDD2107  [6]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C209(0.43); C232(1.00)  LDD2108  [6]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C209(0.63); C232(0.79)  LDD2109  [6]
 LDCM0517  Nucleophilic fragment 21b MDA-MB-231 C209(0.98); C232(1.25)  LDD2110  [6]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C209(0.93)  LDD2111  [6]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C209(0.98); C232(0.75)  LDD2114  [6]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C209(0.78); C232(0.93)  LDD2115  [6]
 LDCM0523  Nucleophilic fragment 24b MDA-MB-231 C209(0.57)  LDD2116  [6]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C232(1.64); C124(0.76)  LDD2118  [6]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C209(1.74); C232(1.67)  LDD2119  [6]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C209(0.51)  LDD2120  [6]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C209(0.46); C232(2.74)  LDD2122  [6]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C209(0.92); C232(0.90)  LDD2123  [6]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C209(0.78); C232(0.85); C124(0.60)  LDD2125  [6]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C209(0.96); C232(0.98); C124(0.70)  LDD2127  [6]
 LDCM0535  Nucleophilic fragment 30b MDA-MB-231 C209(0.49); C232(0.60); C124(0.75)  LDD2128  [6]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C209(1.15); C232(1.18)  LDD2129  [6]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C209(0.78); C232(0.90)  LDD2133  [6]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C209(0.70); C232(0.80)  LDD2134  [6]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C209(1.32); C232(1.10)  LDD2135  [6]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C209(1.20); C232(1.18); C124(0.96)  LDD2136  [6]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C232(1.07)  LDD2137  [6]
 LDCM0211  Nucleophilic fragment 3b MDA-MB-231 C232(2.14); C209(1.76); C124(1.24)  LDD1700  [6]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C209(0.79); C232(0.97)  LDD2140  [6]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C209(0.40); C232(0.90)  LDD2141  [6]
 LDCM0549  Nucleophilic fragment 43 MDA-MB-231 C209(0.57); C232(0.54)  LDD2143  [6]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C209(1.86); C232(2.10)  LDD2144  [6]
 LDCM0551  Nucleophilic fragment 5b MDA-MB-231 C209(1.79); C232(4.81)  LDD2145  [6]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C209(0.99); C232(1.47)  LDD2146  [6]
 LDCM0553  Nucleophilic fragment 6b MDA-MB-231 C209(1.08)  LDD2147  [6]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C209(0.64); C232(0.91)  LDD2148  [6]
 LDCM0555  Nucleophilic fragment 7b MDA-MB-231 C232(2.65)  LDD2149  [6]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C209(0.46); C232(0.51)  LDD2150  [6]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C209(1.52)  LDD2153  [6]
 LDCM0628  OTUB2-COV-1 HEK-293T C713(0.96); C124(0.77)  LDD2207  [37]
 LDCM0131  RA190 MM1.R C628(1.45); C152(1.12); C156(1.12); C166(1.12)  LDD0304  [38]
 LDCM0021  THZ1 HCT 116 C221(1.24); C224(1.24); C209(1.33); C232(1.39)  LDD2173  [17]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 2 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Sentrin-specific protease 7 (SENP7) Peptidase C48 family Q9BQF6
Chromodomain-helicase-DNA-binding protein 3 (CHD3) SNF2/RAD54 helicase family Q12873
Transcription factor
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Nuclear receptor corepressor 1 (NCOR1) N-CoR nuclear receptor corepressors family O75376
Other
Click To Hide/Show 7 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Chromobox protein homolog 3 (CBX3) . Q13185
Chromobox protein homolog 5 (CBX5) . P45973
Melanoma-associated antigen 2 (MAGEA2; MAGEA2B) . P43356
Melanoma-associated antigen 3 (MAGEA3) . P43357
Melanoma-associated antigen 6 (MAGEA6) . P43360
Melanoma-associated antigen C2 (MAGEC2) . Q9UBF1
Melanoma-associated antigen E1 (MAGEE1) . Q9HCI5

References

1 2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases. J Am Chem Soc. 2023 Feb 12. doi: 10.1021/jacs.2c11595. Online ahead of print.
Mass spectrometry data entry: PXD037665
2 A Chemical Proteomic Analysis of Illudin-Interacting Proteins. Chemistry. 2019 Sep 25;25(54):12644-12651. doi: 10.1002/chem.201902919. Epub 2019 Sep 3.
Mass spectrometry data entry: PXD014175
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 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
7 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.
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 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.
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 Discovery of Potent and Selective Inhibitors against Protein-Derived Electrophilic Cofactors. J Am Chem Soc. 2022 Mar 30;144(12):5377-5388. doi: 10.1021/jacs.1c12748. Epub 2022 Mar 2.
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 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
14 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.
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.
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Mass spectrometry data entry: PXD042377
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Mass spectrometry data entry: PXD028853
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Mass spectrometry data entry: PXD023056 , PXD023059 , PXD023058 , PXD023057 , PXD023060
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Mass spectrometry data entry: PXD029500 , PXD031647
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Mass spectrometry data entry: PXD029255
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Mass spectrometry data entry: PXD041264
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Mass spectrometry data entry: PXD027758 , PXD027755 , PXD027760 , PXD027762 , PXD027756 , PXD027591 , PXD007149 , PXD030064 , PXD032392 , PXD027789 , PXD027767 , PXD027764
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Mass spectrometry data entry: PXD039931
29 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
30 Oxidative cyclization reagents reveal tryptophan cation- interactions. Nature. 2024 Mar;627(8004):680-687. doi: 10.1038/s41586-024-07140-6. Epub 2024 Mar 6.
Mass spectrometry data entry: PXD001377 , PXD005252
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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
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