Details of the Target

General Information of Target

Target ID LDTP04561
Target Name ATP-citrate synthase (ACLY)
Gene Name ACLY
Gene ID 47
Synonyms
ATP-citrate synthase; EC 2.3.3.8; ATP-citrate; pro-S-)-lyase; ACL; Citrate cleavage enzyme
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MSAKAISEQTGKELLYKFICTTSAIQNRFKYARVTPDTDWARLLQDHPWLLSQNLVVKPD
QLIKRRGKLGLVGVNLTLDGVKSWLKPRLGQEATVGKATGFLKNFLIEPFVPHSQAEEFY
VCIYATREGDYVLFHHEGGVDVGDVDAKAQKLLVGVDEKLNPEDIKKHLLVHAPEDKKEI
LASFISGLFNFYEDLYFTYLEINPLVVTKDGVYVLDLAAKVDATADYICKVKWGDIEFPP
PFGREAYPEEAYIADLDAKSGASLKLTLLNPKGRIWTMVAGGGASVVYSDTICDLGGVNE
LANYGEYSGAPSEQQTYDYAKTILSLMTREKHPDGKILIIGGSIANFTNVAATFKGIVRA
IRDYQGPLKEHEVTIFVRRGGPNYQEGLRVMGEVGKTTGIPIHVFGTETHMTAIVGMALG
HRPIPNQPPTAAHTANFLLNASGSTSTPAPSRTASFSESRADEVAPAKKAKPAMPQDSVP
SPRSLQGKSTTLFSRHTKAIVWGMQTRAVQGMLDFDYVCSRDEPSVAAMVYPFTGDHKQK
FYWGHKEILIPVFKNMADAMRKHPEVDVLINFASLRSAYDSTMETMNYAQIRTIAIIAEG
IPEALTRKLIKKADQKGVTIIGPATVGGIKPGCFKIGNTGGMLDNILASKLYRPGSVAYV
SRSGGMSNELNNIISRTTDGVYEGVAIGGDRYPGSTFMDHVLRYQDTPGVKMIVVLGEIG
GTEEYKICRGIKEGRLTKPIVCWCIGTCATMFSSEVQFGHAGACANQASETAVAKNQALK
EAGVFVPRSFDELGEIIQSVYEDLVANGVIVPAQEVPPPTVPMDYSWARELGLIRKPASF
MTSICDERGQELIYAGMPITEVFKEEMGIGGVLGLLWFQKRLPKYSCQFIEMCLMVTADH
GPAVSGAHNTIICARAGKDLVSSLTSGLLTIGDRFGGALDAAAKMFSKAFDSGIIPMEFV
NKMKKEGKLIMGIGHRVKSINNPDMRVQILKDYVRQHFPATPLLDYALEVEKITTSKKPN
LILNVDGLIGVAFVDMLRNCGSFTREEADEYIDIGALNGIFVLGRSMGFIGHYLDQKRLK
QGLYRHPWDDISYVLPEHMSM
Target Type
Successful
Target Bioclass
Enzyme
Family
Succinate/malate CoA ligase beta subunit family; Succinate/malate CoA ligase alpha subunit family
Subcellular location
Cytoplasm, cytosol
Function Catalyzes the cleavage of citrate into oxaloacetate and acetyl-CoA, the latter serving as common substrate for de novo cholesterol and fatty acid synthesis.
TTD ID
T52189
Uniprot ID
P53396
DrugMap ID
TT0Z6Y2
Ensemble ID
ENST00000352035.7
HGNC ID
HGNC:115
ChEMBL ID
CHEMBL3720

Target Site Mutations in Different Cell Lines

Cell line Mutation details Probe for labeling this protein in this cell
ABC1 SNV: p.P480L DBIA    Probe Info 
CAL72 SNV: p.L894Q DBIA    Probe Info 
COLO678 SNV: p.E92K DBIA    Probe Info 
HCT15 SNV: p.S451I; p.V784L DBIA    Probe Info 
HUH7 SNV: p.A528G DBIA    Probe Info 
IGR1 SNV: p.A467E DBIA    Probe Info 
Ishikawa (Heraklio) 02 ER Deletion: p.G282VfsTer14
SNV: p.Y682F		 DBIA    Probe Info 
KP4 SNV: p.E958V DBIA    Probe Info 
KYM1 SNV: p.R389Q DBIA    Probe Info 
LNCaP clone FGC SNV: p.D933Y DBIA    Probe Info 
LS180 SNV: p.D706E DBIA    Probe Info 
MOLT4 SNV: p.S343N IA-alkyne    Probe Info 
NCIH2286 SNV: p.G309V DBIA    Probe Info 
NCIH3122 SNV: p.G143C DBIA    Probe Info 
SKMM2 SNV: p.A467E DBIA    Probe Info 
YSCCC SNV: p.D216H DBIA    Probe Info 

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 62 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
m-APA
 Probe Info  		13.75  LDD0402  [1]
Hsieh_2
 Probe Info  		N.A.  LDD0425  [2]
A-EBA
 Probe Info  		4.33  LDD0215  [3]
8RK64
 Probe Info  		N.A.  LDD0039  [4]
CHEMBL5175495
 Probe Info  		5.25  LDD0196  [5]
CY-1
 Probe Info  		100.00  LDD0243  [6]
CY4
 Probe Info  		100.00  LDD0244  [6]
N1
 Probe Info  		100.00  LDD0242  [6]
TH211
 Probe Info  		Y542(18.62); Y384(13.18); Y531(12.15); Y517(11.19)  LDD0257  [7]
TH216
 Probe Info  		Y531(20.00); Y1073(10.62); Y1006(8.25)  LDD0259  [7]
YN-4
 Probe Info  		100.00  LDD0445  [8]
ONAyne
 Probe Info  		K978(0.00); K836(0.00); K468(0.00); K780(0.00)  LDD0273  [9]
OPA-S-S-alkyne
 Probe Info  		K780(1.27); K991(2.27); K272(2.72); K978(2.77)  LDD3494  [10]
Probe 1
 Probe Info  		Y227(50.18); Y252(232.14); Y364(89.92); Y384(24.40)  LDD3495  [11]
THZ1-DTB
 Probe Info  		C633(1.06)  LDD0460  [12]
Jackson_14
 Probe Info  		2.08  LDD0123  [13]
DA-P3
 Probe Info  		7.46  LDD0183  [14]
AHL-Pu-1
 Probe Info  		C845(3.09); C20(2.94)  LDD0169  [15]
EA-probe
 Probe Info  		C20(0.76)  LDD2210  [16]
HHS-482
 Probe Info  		Y384(1.04); Y531(1.41); Y682(1.24); Y704(0.22)  LDD0285  [17]
HHS-475
 Probe Info  		Y517(0.64); Y682(0.83); Y384(0.96); Y531(0.98)  LDD0264  [18]
HHS-465
 Probe Info  		Y1006(5.84); Y1084(10.00); Y131(10.00); Y364(10.00)  LDD2237  [19]
DBIA
 Probe Info  		C20(1.53); C845(1.05); C229(1.01)  LDD0078  [20]
5E-2FA
 Probe Info  		H47(0.00); H433(0.00); H997(0.00)  LDD2235  [21]
AMP probe
 Probe Info  		N.A.  LDD0200  [22]
ATP probe
 Probe Info  		K978(0.00); K68(0.00); K780(0.00); K546(0.00)  LDD0199  [22]
4-Iodoacetamidophenylacetylene
 Probe Info  		C519(0.00); C20(0.00); C633(0.00); C845(0.00)  LDD0038  [23]
IA-alkyne
 Probe Info  		C20(0.00); C229(0.00); C633(0.00)  LDD0032  [24]
IPIAA_H
 Probe Info  		N.A.  LDD0030  [25]
IPIAA_L
 Probe Info  		C519(0.00); C122(0.00); C845(0.00)  LDD0031  [25]
Lodoacetamide azide
 Probe Info  		C519(0.00); C20(0.00); C633(0.00); C845(0.00)  LDD0037  [23]
ATP probe
 Probe Info  		K1018(0.00); K978(0.00); K68(0.00); K58(0.00)  LDD0035  [26]
BTD
 Probe Info  		N.A.  LDD0004  [27]
JW-RF-010
 Probe Info  		N.A.  LDD0026  [28]
NAIA_4
 Probe Info  		C744(0.00); C742(0.00); C20(0.00); C764(0.00)  LDD2226  [29]
TFBX
 Probe Info  		C20(0.00); C229(0.00)  LDD0027  [28]
WYneC
 Probe Info  		N.A.  LDD0014  [27]
WYneN
 Probe Info  		C20(0.00); C845(0.00)  LDD0021  [27]
WYneO
 Probe Info  		C229(0.00); C20(0.00); C845(0.00)  LDD0022  [27]
KY-26
 Probe Info  		N.A.  LDD0301  [30]
1d-yne
 Probe Info  		K64(0.00); K58(0.00)  LDD0356  [31]
Compound 10
 Probe Info  		C20(0.00); C633(0.00); C845(0.00)  LDD2216  [32]
Compound 11
 Probe Info  		C20(0.00); C633(0.00); C845(0.00)  LDD2213  [32]
ENE
 Probe Info  		C20(0.00); C845(0.00)  LDD0006  [27]
IPM
 Probe Info  		C20(0.00); C633(0.00); C845(0.00)  LDD0005  [27]
NHS
 Probe Info  		K948(0.00); K968(0.00); K978(0.00); K562(0.00)  LDD0010  [27]
OSF
 Probe Info  		N.A.  LDD0029  [33]
PF-06672131
 Probe Info  		N.A.  LDD0152  [34]
PPMS
 Probe Info  		N.A.  LDD0008  [27]
SF
 Probe Info  		Y131(0.00); Y384(0.00); Y1084(0.00); K468(0.00)  LDD0028  [33]
STPyne
 Probe Info  		K4(0.00); K616(0.00)  LDD0009  [27]
VSF
 Probe Info  		C20(0.00); C633(0.00)  LDD0007  [27]
Phosphinate-6
 Probe Info  		C633(0.00); C764(0.00); C20(0.00)  LDD0018  [35]
Ox-W18
 Probe Info  		W40(0.00); W49(0.00); W502(0.00)  LDD2175  [36]
1c-yne
 Probe Info  		K836(0.00); K369(0.00); K17(0.00); K650(0.00)  LDD0228  [31]
Acrolein
 Probe Info  		C845(0.00); C633(0.00); C229(0.00); C20(0.00)  LDD0217  [37]
Cinnamaldehyde
 Probe Info  		N.A.  LDD0220  [37]
Crotonaldehyde
 Probe Info  		C20(0.00); H545(0.00)  LDD0219  [37]
Methacrolein
 Probe Info  		C845(0.00); C229(0.00); C20(0.00); C519(0.00)  LDD0218  [37]
W1
 Probe Info  		C633(0.00); C229(0.00); C845(0.00); C20(0.00)  LDD0236  [38]
AOyne
 Probe Info  		4.40  LDD0443  [39]
NAIA_5
 Probe Info  		C633(0.00); C519(0.00); C845(0.00); C20(0.00)  LDD2223  [29]
PAL-AfBPP Probe
Click To Hide/Show 9 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
FFF probe13
 Probe Info  		6.72  LDD0475  [40]
FFF probe14
 Probe Info  		5.04  LDD0477  [40]
FFF probe3
 Probe Info  		5.89  LDD0464  [40]
JN0003
 Probe Info  		5.52  LDD0469  [40]
STS-2
 Probe Info  		4.27  LDD0138  [41]
VE-P
 Probe Info  		N.A.  LDD0396  [42]
Staurosporine capture compound
 Probe Info  		2.17  LDD0083  [43]
DA-2
 Probe Info  		N.A.  LDD0070  [44]
STS-1
 Probe Info  		N.A.  LDD0068  [45]

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 C20(0.83); C1040(1.09); C229(0.63); C845(0.63)  LDD2142  [46]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C20(1.05); C1040(1.49)  LDD2112  [46]
 LDCM0502  1-(Cyanoacetyl)piperidine MDA-MB-231 C20(0.82); C633(0.53); C1040(0.52)  LDD2095  [46]
 LDCM0537  2-Cyano-N,N-dimethylacetamide MDA-MB-231 C20(0.97); C1040(0.74); C845(0.99)  LDD2130  [46]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C20(0.84); C633(1.01); C229(1.18); C845(1.11)  LDD2117  [46]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C20(1.08); C1040(1.83); C229(1.59); C845(2.41)  LDD2152  [46]
 LDCM0510  3-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-3-oxopropanenitrile MDA-MB-231 C20(1.10)  LDD2103  [46]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C20(0.61); C633(0.45); C1040(0.69)  LDD2132  [46]
 LDCM0538  4-(Cyanoacetyl)morpholine MDA-MB-231 C20(0.70); C633(0.77); C1040(0.46); C845(0.97)  LDD2131  [46]
 LDCM0026  4SU-RNA+native RNA HEK-293T C845(3.09); C20(2.94)  LDD0169  [15]
 LDCM0214  AC1 HCT 116 C20(1.07); C1040(1.08); C229(1.05); C519(1.06)  LDD0531  [20]
 LDCM0215  AC10 HCT 116 C20(1.08); C1040(0.87); C229(1.39); C519(1.14)  LDD0532  [20]
 LDCM0216  AC100 HCT 116 C20(1.13); C1040(0.47); C229(0.90); C519(0.97)  LDD0533  [20]
 LDCM0217  AC101 HCT 116 C20(1.07); C1040(0.40); C229(0.80); C519(0.61)  LDD0534  [20]
 LDCM0218  AC102 HCT 116 C20(1.10); C1040(0.50); C229(0.97); C519(0.68)  LDD0535  [20]
 LDCM0219  AC103 HCT 116 C20(1.37); C1040(0.48); C229(0.66); C519(0.42)  LDD0536  [20]
 LDCM0220  AC104 HCT 116 C20(1.29); C1040(0.27); C229(1.01); C519(0.60)  LDD0537  [20]
 LDCM0221  AC105 HCT 116 C20(1.28); C1040(0.48); C229(0.87); C519(0.48)  LDD0538  [20]
 LDCM0222  AC106 HCT 116 C20(1.37); C1040(0.54); C229(0.73); C519(0.47)  LDD0539  [20]
 LDCM0223  AC107 HCT 116 C20(1.33); C1040(0.62); C229(0.90); C519(0.48)  LDD0540  [20]
 LDCM0224  AC108 HCT 116 C20(1.17); C1040(0.37); C229(0.75); C519(0.43)  LDD0541  [20]
 LDCM0225  AC109 HCT 116 C20(0.93); C1040(0.30); C229(1.00); C519(0.71)  LDD0542  [20]
 LDCM0226  AC11 HCT 116 C20(1.25); C1040(0.49); C229(1.81); C519(1.40)  LDD0543  [20]
 LDCM0227  AC110 HCT 116 C20(1.12); C1040(0.32); C229(0.68); C519(0.41)  LDD0544  [20]
 LDCM0228  AC111 HCT 116 C20(1.20); C1040(0.35); C229(0.59); C519(0.38)  LDD0545  [20]
 LDCM0229  AC112 HCT 116 C20(1.22); C1040(0.39); C229(0.67); C519(0.44)  LDD0546  [20]
 LDCM0230  AC113 HCT 116 C20(1.30); C1040(1.25); C229(1.18); C519(1.24)  LDD0547  [20]
 LDCM0231  AC114 HCT 116 C20(1.16); C1040(1.30); C229(0.85); C519(1.00)  LDD0548  [20]
 LDCM0232  AC115 HCT 116 C20(1.23); C1040(1.10); C229(0.82); C519(1.10)  LDD0549  [20]
 LDCM0233  AC116 HCT 116 C20(1.25); C1040(1.18); C229(0.84); C519(1.04)  LDD0550  [20]
 LDCM0234  AC117 HCT 116 C20(1.07); C1040(1.79); C229(0.84); C519(1.11)  LDD0551  [20]
 LDCM0235  AC118 HCT 116 C20(1.17); C1040(1.24); C229(1.07); C519(1.10)  LDD0552  [20]
 LDCM0236  AC119 HCT 116 C20(1.31); C1040(1.19); C229(0.87); C519(1.14)  LDD0553  [20]
 LDCM0237  AC12 HCT 116 C20(1.28); C1040(0.67); C229(1.68); C519(1.28)  LDD0554  [20]
 LDCM0238  AC120 HCT 116 C20(1.36); C1040(0.92); C229(0.86); C519(0.88)  LDD0555  [20]
 LDCM0239  AC121 HCT 116 C20(1.23); C1040(1.44); C229(1.01); C519(0.86)  LDD0556  [20]
 LDCM0240  AC122 HCT 116 C20(1.20); C1040(1.26); C229(0.96); C519(1.26)  LDD0557  [20]
 LDCM0241  AC123 HCT 116 C20(1.15); C1040(1.62); C229(0.89); C519(0.99)  LDD0558  [20]
 LDCM0242  AC124 HCT 116 C20(1.12); C1040(1.18); C229(1.00); C519(1.08)  LDD0559  [20]
 LDCM0243  AC125 HCT 116 C20(1.27); C1040(1.28); C229(1.01); C519(1.01)  LDD0560  [20]
 LDCM0244  AC126 HCT 116 C20(1.22); C1040(1.08); C229(0.83); C519(1.17)  LDD0561  [20]
 LDCM0245  AC127 HCT 116 C20(1.26); C1040(1.56); C229(0.90); C519(1.08)  LDD0562  [20]
 LDCM0246  AC128 HCT 116 C20(1.59); C1040(1.37); C229(1.82); C519(1.54)  LDD0563  [20]
 LDCM0247  AC129 HCT 116 C20(1.43); C1040(1.48); C229(1.30); C519(1.38)  LDD0564  [20]
 LDCM0249  AC130 HCT 116 C20(1.42); C1040(1.49); C229(1.06); C519(1.29)  LDD0566  [20]
 LDCM0250  AC131 HCT 116 C20(1.32); C1040(1.15); C229(1.08); C519(1.21)  LDD0567  [20]
 LDCM0251  AC132 HCT 116 C20(1.53); C1040(1.64); C229(1.14); C519(1.02)  LDD0568  [20]
 LDCM0252  AC133 HCT 116 C20(1.31); C1040(1.50); C229(1.45); C519(1.29)  LDD0569  [20]
 LDCM0253  AC134 HCT 116 C20(1.76); C1040(1.41); C229(0.98); C519(0.93)  LDD0570  [20]
 LDCM0254  AC135 HCT 116 C20(1.34); C1040(1.24); C229(0.94); C519(1.02)  LDD0571  [20]
 LDCM0255  AC136 HCT 116 C20(2.08); C1040(1.26); C229(0.88); C519(0.98)  LDD0572  [20]
 LDCM0256  AC137 HCT 116 C20(2.06); C1040(1.01); C229(0.94); C519(1.07)  LDD0573  [20]
 LDCM0257  AC138 HCT 116 C20(1.75); C1040(1.37); C229(0.54); C519(0.49)  LDD0574  [20]
 LDCM0258  AC139 HCT 116 C20(1.94); C1040(1.29); C229(0.59); C519(0.68)  LDD0575  [20]
 LDCM0259  AC14 HCT 116 C20(1.21); C1040(0.62); C229(1.44); C519(1.23)  LDD0576  [20]
 LDCM0260  AC140 HCT 116 C20(1.74); C1040(1.12); C229(0.43); C519(0.43)  LDD0577  [20]
 LDCM0261  AC141 HCT 116 C20(1.79); C1040(1.31); C229(0.50); C519(0.45)  LDD0578  [20]
 LDCM0262  AC142 HCT 116 C20(1.75); C1040(1.75); C229(1.01); C519(0.83)  LDD0579  [20]
 LDCM0263  AC143 HCT 116 C20(0.97); C1040(1.15); C519(0.84); C845(1.03)  LDD0580  [20]
 LDCM0264  AC144 HCT 116 C519(0.73); C845(0.87); C1040(1.08); C20(1.26)  LDD0581  [20]
 LDCM0265  AC145 HCT 116 C845(0.79); C519(0.83); C1040(1.05); C20(1.32)  LDD0582  [20]
 LDCM0266  AC146 HCT 116 C519(0.68); C845(0.81); C1040(0.97); C20(1.52)  LDD0583  [20]
 LDCM0267  AC147 HCT 116 C519(0.77); C845(0.92); C1040(1.09); C20(1.45)  LDD0584  [20]
 LDCM0268  AC148 HCT 116 C519(0.49); C845(1.02); C1040(1.20); C20(4.09)  LDD0585  [20]
 LDCM0269  AC149 HCT 116 C519(0.61); C1040(1.17); C845(1.18); C20(2.96)  LDD0586  [20]
 LDCM0270  AC15 HCT 116 C1040(0.58); C845(1.05); C633(1.06); C519(1.10)  LDD0587  [20]
 LDCM0271  AC150 HCT 116 C519(1.01); C845(1.03); C1040(1.32); C20(1.42)  LDD0588  [20]
 LDCM0272  AC151 HCT 116 C519(0.85); C845(0.97); C1040(1.15); C20(1.58)  LDD0589  [20]
 LDCM0273  AC152 HCT 116 C519(0.64); C1040(0.95); C845(1.12); C20(1.46)  LDD0590  [20]
 LDCM0274  AC153 HCT 116 C519(0.43); C1040(0.84); C845(0.99); C20(2.33)  LDD0591  [20]
 LDCM0621  AC154 HCT 116 C20(1.39); C1040(1.11); C519(0.73); C845(0.92)  LDD2158  [20]
 LDCM0622  AC155 HCT 116 C20(1.52); C1040(1.10); C519(0.76); C845(1.18)  LDD2159  [20]
 LDCM0623  AC156 HCT 116 C20(1.09); C1040(1.00); C519(0.94); C845(0.80)  LDD2160  [20]
 LDCM0624  AC157 HCT 116 C20(1.29); C1040(1.06); C519(0.78); C845(0.74)  LDD2161  [20]
 LDCM0276  AC17 HCT 116 C1040(0.70); C519(0.97); C845(1.01); C229(1.03)  LDD0593  [20]
 LDCM0277  AC18 HCT 116 C1040(0.65); C519(0.74); C229(0.99); C845(1.58)  LDD0594  [20]
 LDCM0278  AC19 HCT 116 C845(1.03); C1040(1.05); C519(1.06); C229(1.12)  LDD0595  [20]
 LDCM0279  AC2 HCT 116 C519(0.88); C20(0.98); C845(1.09); C229(1.12)  LDD0596  [20]
 LDCM0280  AC20 HCT 116 C519(0.99); C845(1.05); C1040(1.08); C229(1.09)  LDD0597  [20]
 LDCM0281  AC21 HCT 116 C1040(0.66); C519(0.97); C229(1.04); C845(1.05)  LDD0598  [20]
 LDCM0282  AC22 HCT 116 C1040(0.74); C519(1.02); C845(1.05); C229(1.13)  LDD0599  [20]
 LDCM0283  AC23 HCT 116 C1040(0.97); C845(0.99); C519(1.05); C229(1.16)  LDD0600  [20]
 LDCM0284  AC24 HCT 116 C1040(0.87); C845(1.02); C229(1.06); C519(1.08)  LDD0601  [20]
 LDCM0285  AC25 HCT 116 C633(0.41); C1040(0.81); C845(0.98); C519(1.00)  LDD0602  [20]
 LDCM0286  AC26 HCT 116 C633(0.32); C1040(0.69); C229(0.84); C519(0.88)  LDD0603  [20]
 LDCM0287  AC27 HCT 116 C633(0.41); C1040(0.75); C519(0.85); C229(0.99)  LDD0604  [20]
 LDCM0288  AC28 HCT 116 C633(0.34); C1040(0.65); C519(0.89); C845(1.03)  LDD0605  [20]
 LDCM0289  AC29 HCT 116 C633(0.42); C1040(0.73); C519(0.75); C229(0.81)  LDD0606  [20]
 LDCM0290  AC3 HCT 116 C20(0.96); C519(1.01); C229(1.03); C845(1.08)  LDD0607  [20]
 LDCM0291  AC30 HCT 116 C633(0.50); C519(0.66); C1040(0.81); C229(0.87)  LDD0608  [20]
 LDCM0292  AC31 HCT 116 C633(0.36); C1040(0.76); C519(0.85); C845(1.05)  LDD0609  [20]
 LDCM0293  AC32 HCT 116 C633(0.35); C1040(0.48); C519(0.64); C229(0.71)  LDD0610  [20]
 LDCM0294  AC33 HCT 116 C633(0.62); C1040(0.64); C519(0.72); C229(0.90)  LDD0611  [20]
 LDCM0295  AC34 HCT 116 C1040(0.55); C519(0.65); C229(0.71); C633(0.79)  LDD0612  [20]
 LDCM0296  AC35 HCT 116 C633(0.55); C20(0.86); C845(0.96); C1040(1.03)  LDD0613  [20]
 LDCM0297  AC36 HCT 116 C633(0.54); C1040(0.73); C845(0.95); C20(0.97)  LDD0614  [20]
 LDCM0298  AC37 HCT 116 C633(0.64); C845(0.87); C20(0.95); C519(1.26)  LDD0615  [20]
 LDCM0299  AC38 HCT 116 C845(0.93); C1040(0.96); C20(0.98); C633(1.14)  LDD0616  [20]
 LDCM0300  AC39 HCT 116 C633(0.73); C845(0.95); C229(1.00); C20(1.07)  LDD0617  [20]
 LDCM0301  AC4 HCT 116 C519(0.97); C20(1.02); C229(1.07); C845(1.20)  LDD0618  [20]
 LDCM0302  AC40 HCT 116 C1040(0.86); C519(0.88); C229(0.90); C845(1.09)  LDD0619  [20]
 LDCM0303  AC41 HCT 116 C845(0.96); C633(0.97); C1040(1.11); C20(1.12)  LDD0620  [20]
 LDCM0304  AC42 HCT 116 C845(0.96); C1040(0.99); C229(1.01); C519(1.05)  LDD0621  [20]
 LDCM0305  AC43 HCT 116 C1040(0.73); C229(0.94); C633(1.00); C845(1.02)  LDD0622  [20]
 LDCM0306  AC44 HCT 116 C845(0.93); C519(1.08); C229(1.09); C20(1.10)  LDD0623  [20]
 LDCM0307  AC45 HCT 116 C519(0.82); C229(0.95); C845(1.05); C20(1.19)  LDD0624  [20]
 LDCM0308  AC46 HCT 116 C519(0.59); C633(0.76); C229(0.76); C1040(1.02)  LDD0625  [20]
 LDCM0309  AC47 HCT 116 C633(0.56); C519(0.85); C229(0.96); C1040(1.00)  LDD0626  [20]
 LDCM0310  AC48 HCT 116 C633(0.73); C519(0.73); C229(0.86); C845(0.98)  LDD0627  [20]
 LDCM0311  AC49 HCT 116 C633(0.60); C519(0.61); C229(0.76); C1040(0.87)  LDD0628  [20]
 LDCM0312  AC5 HCT 116 C519(0.91); C20(1.04); C229(1.15); C845(1.23)  LDD0629  [20]
 LDCM0313  AC50 HCT 116 C633(0.46); C519(0.70); C229(0.71); C1040(0.98)  LDD0630  [20]
 LDCM0314  AC51 HCT 116 C633(0.61); C519(0.75); C229(0.78); C845(0.84)  LDD0631  [20]
 LDCM0315  AC52 HCT 116 C633(0.60); C519(0.72); C229(0.83); C845(0.97)  LDD0632  [20]
 LDCM0316  AC53 HCT 116 C633(0.57); C519(0.84); C229(0.91); C845(0.98)  LDD0633  [20]
 LDCM0317  AC54 HCT 116 C519(0.80); C633(0.80); C1040(0.90); C229(0.95)  LDD0634  [20]
 LDCM0318  AC55 HCT 116 C633(0.69); C519(0.77); C229(0.87); C845(1.09)  LDD0635  [20]
 LDCM0319  AC56 HCT 116 C633(0.41); C519(0.47); C229(0.61); C1040(0.75)  LDD0636  [20]
 LDCM0320  AC57 HCT 116 C229(0.65); C633(0.92); C519(1.09); C20(1.33)  LDD0637  [20]
 LDCM0321  AC58 HCT 116 C229(0.53); C519(0.96); C633(1.20); C20(1.43)  LDD0638  [20]
 LDCM0322  AC59 HCT 116 C229(0.50); C633(1.05); C845(1.48); C20(1.48)  LDD0639  [20]
 LDCM0323  AC6 HCT 116 C1040(0.45); C519(0.89); C229(0.90); C845(1.15)  LDD0640  [20]
 LDCM0324  AC60 HCT 116 C229(0.61); C633(1.11); C519(1.24); C845(1.48)  LDD0641  [20]
 LDCM0325  AC61 HCT 116 C229(0.53); C633(1.00); C519(1.28); C845(1.38)  LDD0642  [20]
 LDCM0326  AC62 HCT 116 C229(0.37); C633(0.75); C519(1.25); C845(1.57)  LDD0643  [20]
 LDCM0327  AC63 HCT 116 C229(0.54); C633(0.87); C845(1.33); C519(1.34)  LDD0644  [20]
 LDCM0328  AC64 HCT 116 C229(0.47); C633(0.84); C519(0.85); C845(1.54)  LDD0645  [20]
 LDCM0329  AC65 HCT 116 C229(0.66); C633(0.77); C519(0.81); C845(1.47)  LDD0646  [20]
 LDCM0330  AC66 HCT 116 C229(0.71); C633(0.88); C519(0.91); C845(1.41)  LDD0647  [20]
 LDCM0331  AC67 HCT 116 C229(0.19); C633(0.64); C845(1.55); C519(1.63)  LDD0648  [20]
 LDCM0332  AC68 HCT 116 C633(0.77); C519(0.87); C229(0.89); C845(1.04)  LDD0649  [20]
 LDCM0333  AC69 HCT 116 C633(0.56); C519(0.81); C229(0.82); C1040(0.96)  LDD0650  [20]
 LDCM0334  AC7 HCT 116 C1040(0.49); C519(0.94); C845(0.99); C20(1.15)  LDD0651  [20]
 LDCM0335  AC70 HCT 116 C633(0.38); C519(0.59); C229(0.69); C845(1.12)  LDD0652  [20]
 LDCM0336  AC71 HCT 116 C633(0.92); C229(0.99); C845(1.01); C519(1.08)  LDD0653  [20]
 LDCM0337  AC72 HCT 116 C633(0.77); C229(0.92); C519(1.04); C845(1.06)  LDD0654  [20]
 LDCM0338  AC73 HCT 116 C633(0.24); C519(0.45); C229(0.59); C1040(0.93)  LDD0655  [20]
 LDCM0339  AC74 HCT 116 C633(0.27); C519(0.52); C229(0.62); C1040(0.94)  LDD0656  [20]
 LDCM0340  AC75 HCT 116 C633(0.22); C519(0.43); C229(0.59); C1040(0.79)  LDD0657  [20]
 LDCM0341  AC76 HCT 116 C633(0.56); C519(0.75); C229(1.12); C845(1.14)  LDD0658  [20]
 LDCM0342  AC77 HCT 116 C633(0.54); C519(0.69); C229(0.85); C845(1.11)  LDD0659  [20]
 LDCM0343  AC78 HCT 116 C633(0.68); C519(0.93); C229(0.94); C20(1.11)  LDD0660  [20]
 LDCM0344  AC79 HCT 116 C519(0.88); C633(0.90); C229(0.95); C845(1.19)  LDD0661  [20]
 LDCM0345  AC8 HCT 116 C1040(0.62); C845(0.95); C519(0.98); C229(1.05)  LDD0662  [20]
 LDCM0346  AC80 HCT 116 C633(0.82); C519(0.91); C229(1.03); C845(1.22)  LDD0663  [20]
 LDCM0347  AC81 HCT 116 C519(0.75); C1040(1.05); C20(1.13); C229(1.14)  LDD0664  [20]
 LDCM0348  AC82 HCT 116 C633(0.29); C519(0.49); C1040(0.66); C229(0.74)  LDD0665  [20]
 LDCM0349  AC83 HCT 116 C519(0.68); C229(0.73); C1040(0.99); C633(1.40)  LDD0666  [20]
 LDCM0350  AC84 HCT 116 C519(0.56); C229(0.68); C1040(0.86); C20(1.48)  LDD0667  [20]
 LDCM0351  AC85 HCT 116 C519(0.74); C229(0.80); C1040(0.82); C633(0.88)  LDD0668  [20]
 LDCM0352  AC86 HCT 116 C229(0.73); C519(0.85); C633(0.94); C1040(1.00)  LDD0669  [20]
 LDCM0353  AC87 HCT 116 C229(0.87); C20(0.98); C845(1.00); C519(1.04)  LDD0670  [20]
 LDCM0354  AC88 HCT 116 C519(0.85); C229(0.89); C1040(0.91); C845(1.10)  LDD0671  [20]
 LDCM0355  AC89 HCT 116 C229(0.74); C519(0.77); C1040(0.85); C633(0.97)  LDD0672  [20]
 LDCM0357  AC90 HCT 116 C633(0.71); C229(0.86); C20(0.98); C845(1.03)  LDD0674  [20]
 LDCM0358  AC91 HCT 116 C519(0.44); C633(0.73); C229(0.84); C1040(0.91)  LDD0675  [20]
 LDCM0359  AC92 HCT 116 C229(0.90); C1040(0.92); C519(0.93); C633(0.95)  LDD0676  [20]
 LDCM0360  AC93 HCT 116 C229(0.83); C1040(0.93); C633(0.95); C519(0.97)  LDD0677  [20]
 LDCM0361  AC94 HCT 116 C633(0.56); C519(0.79); C1040(0.98); C845(1.04)  LDD0678  [20]
 LDCM0362  AC95 HCT 116 C633(0.74); C229(0.77); C519(0.99); C845(1.00)  LDD0679  [20]
 LDCM0363  AC96 HCT 116 C633(0.56); C519(0.93); C1040(0.97); C845(1.18)  LDD0680  [20]
 LDCM0364  AC97 HCT 116 C633(0.53); C519(0.64); C229(0.70); C1040(0.87)  LDD0681  [20]
 LDCM0365  AC98 HCT 116 C1040(0.19); C519(0.26); C229(0.72); C633(1.01)  LDD0682  [20]
 LDCM0366  AC99 HCT 116 C1040(0.48); C519(0.65); C229(0.87); C633(0.91)  LDD0683  [20]
 LDCM0545  Acetamide MDA-MB-231 C20(0.41); C1040(0.45); C845(1.11)  LDD2138  [46]
 LDCM0520  AKOS000195272 MDA-MB-231 C20(0.75); C633(0.59); C229(0.71)  LDD2113  [46]
 LDCM0248  AKOS034007472 HCT 116 C20(1.10); C1040(0.62); C229(1.38); C519(1.17)  LDD0565  [20]
 LDCM0356  AKOS034007680 HCT 116 C1040(0.58); C633(0.89); C845(0.99); C20(1.11)  LDD0673  [20]
 LDCM0275  AKOS034007705 HCT 116 C1040(0.58); C519(0.71); C229(0.98); C633(0.99)  LDD0592  [20]
 LDCM0156  Aniline NCI-H1299 C845(0.00); C20(0.00)  LDD0405  [1]
 LDCM0020  ARS-1620 HCC44 C20(1.53); C845(1.05); C229(1.01)  LDD0078  [20]
 LDCM0498  BS-3668 MDA-MB-231 C20(0.50); C633(0.36); C1040(0.81); C845(1.03)  LDD2091  [46]
 LDCM0630  CCW28-3 231MFP C20(1.66); C845(1.34)  LDD2214  [47]
 LDCM0108  Chloroacetamide HeLa C845(0.00); C633(0.00); C229(0.00); H997(0.00)  LDD0222  [37]
 LDCM0632  CL-Sc Hep-G2 C845(4.79); C20(0.98); C633(0.89); C845(0.88)  LDD2227  [29]
 LDCM0367  CL1 HCT 116 C845(0.95); C229(0.96); C20(1.18); C1040(1.43)  LDD0684  [20]
 LDCM0368  CL10 HCT 116 C229(1.03); C20(1.22); C1040(1.31); C845(1.38)  LDD0685  [20]
 LDCM0369  CL100 HCT 116 C229(0.85); C519(0.96); C20(1.08); C1040(1.20)  LDD0686  [20]
 LDCM0370  CL101 HCT 116 C1040(0.55); C519(0.84); C845(1.06); C20(1.20)  LDD0687  [20]
 LDCM0371  CL102 HCT 116 C1040(0.57); C845(0.96); C20(1.10); C519(1.19)  LDD0688  [20]
 LDCM0372  CL103 HCT 116 C1040(0.51); C845(0.88); C20(1.03); C519(1.34)  LDD0689  [20]
 LDCM0373  CL104 HCT 116 C1040(0.55); C845(0.95); C519(1.08); C20(1.11)  LDD0690  [20]
 LDCM0374  CL105 HCT 116 C1040(0.75); C519(0.87); C229(0.93); C845(1.16)  LDD0691  [20]
 LDCM0375  CL106 HCT 116 C519(0.64); C1040(0.66); C229(0.84); C845(1.44)  LDD0692  [20]
 LDCM0376  CL107 HCT 116 C519(0.76); C1040(0.78); C229(0.87); C845(1.18)  LDD0693  [20]
 LDCM0377  CL108 HCT 116 C519(0.69); C1040(0.77); C229(0.77); C845(1.19)  LDD0694  [20]
 LDCM0378  CL109 HCT 116 C1040(0.86); C519(0.90); C229(0.93); C845(1.13)  LDD0695  [20]
 LDCM0379  CL11 HCT 116 C229(1.04); C20(1.06); C519(1.07); C845(1.34)  LDD0696  [20]
 LDCM0380  CL110 HCT 116 C519(0.71); C1040(0.75); C229(0.80); C845(1.12)  LDD0697  [20]
 LDCM0381  CL111 HCT 116 C1040(0.67); C519(0.87); C229(0.89); C845(1.05)  LDD0698  [20]
 LDCM0382  CL112 HCT 116 C633(0.56); C1040(0.58); C845(0.97); C519(1.03)  LDD0699  [20]
 LDCM0383  CL113 HCT 116 C633(0.57); C1040(0.68); C519(0.71); C229(0.81)  LDD0700  [20]
 LDCM0384  CL114 HCT 116 C633(0.55); C1040(0.67); C519(0.74); C229(0.76)  LDD0701  [20]
 LDCM0385  CL115 HCT 116 C1040(0.64); C633(0.73); C519(0.82); C229(1.00)  LDD0702  [20]
 LDCM0386  CL116 HCT 116 C633(0.70); C519(0.82); C1040(0.90); C229(0.97)  LDD0703  [20]
 LDCM0387  CL117 HCT 116 C229(0.50); C519(0.61); C1040(0.81); C845(1.26)  LDD0704  [20]
 LDCM0388  CL118 HCT 116 C633(0.58); C845(0.97); C229(1.00); C20(1.02)  LDD0705  [20]
 LDCM0389  CL119 HCT 116 C633(0.52); C845(0.96); C519(1.01); C229(1.03)  LDD0706  [20]
 LDCM0390  CL12 HCT 116 C519(0.94); C229(1.08); C20(1.09); C845(1.26)  LDD0707  [20]
 LDCM0391  CL120 HCT 116 C633(0.56); C1040(0.91); C845(0.97); C20(1.06)  LDD0708  [20]
 LDCM0392  CL121 HCT 116 C519(0.75); C229(0.83); C845(0.93); C633(0.96)  LDD0709  [20]
 LDCM0393  CL122 HCT 116 C519(0.67); C229(0.76); C845(1.10); C1040(1.19)  LDD0710  [20]
 LDCM0394  CL123 HCT 116 C633(0.52); C229(0.71); C519(0.75); C1040(0.96)  LDD0711  [20]
 LDCM0395  CL124 HCT 116 C633(0.57); C519(0.62); C229(0.75); C1040(0.91)  LDD0712  [20]
 LDCM0396  CL125 HCT 116 C633(0.63); C519(0.92); C229(0.97); C845(1.06)  LDD0713  [20]
 LDCM0397  CL126 HCT 116 C229(0.70); C633(0.95); C519(1.02); C845(1.24)  LDD0714  [20]
 LDCM0398  CL127 HCT 116 C519(0.67); C229(0.69); C633(1.04); C20(1.08)  LDD0715  [20]
 LDCM0399  CL128 HCT 116 C229(0.65); C519(0.82); C633(0.93); C20(1.31)  LDD0716  [20]
 LDCM0400  CL13 HCT 116 C229(1.01); C20(1.01); C845(1.16); C519(1.46)  LDD0717  [20]
 LDCM0401  CL14 HCT 116 C229(1.04); C845(1.08); C20(1.10); C519(1.69)  LDD0718  [20]
 LDCM0402  CL15 HCT 116 C519(0.98); C20(1.07); C845(1.11); C229(1.18)  LDD0719  [20]
 LDCM0403  CL16 HCT 116 C519(0.63); C1040(0.85); C229(1.05); C845(1.07)  LDD0720  [20]
 LDCM0404  CL17 HCT 116 C229(0.88); C519(0.93); C1040(1.15); C20(1.18)  LDD0721  [20]
 LDCM0405  CL18 HCT 116 C519(0.87); C229(1.10); C20(1.13); C845(1.27)  LDD0722  [20]
 LDCM0406  CL19 HCT 116 C519(0.88); C20(0.99); C229(1.03); C1040(1.05)  LDD0723  [20]
 LDCM0407  CL2 HCT 116 C845(1.00); C229(1.12); C20(1.22); C1040(1.27)  LDD0724  [20]
 LDCM0408  CL20 HCT 116 C229(0.84); C519(0.85); C20(1.19); C845(1.39)  LDD0725  [20]
 LDCM0409  CL21 HCT 116 C519(0.79); C229(0.95); C20(1.10); C1040(1.38)  LDD0726  [20]
 LDCM0410  CL22 HCT 116 C519(0.72); C229(0.92); C1040(1.07); C20(1.10)  LDD0727  [20]
 LDCM0411  CL23 HCT 116 C519(0.76); C1040(0.89); C229(0.94); C845(0.95)  LDD0728  [20]
 LDCM0412  CL24 HCT 116 C519(0.63); C229(1.00); C20(1.13); C845(1.14)  LDD0729  [20]
 LDCM0413  CL25 HCT 116 C20(4.35); C1040(0.85); C229(1.04); C519(0.75)  LDD0730  [20]
 LDCM0414  CL26 HCT 116 C20(1.40); C1040(0.95); C229(1.01); C519(0.69)  LDD0731  [20]
 LDCM0415  CL27 HCT 116 C20(1.10); C1040(1.17); C229(1.04); C519(0.85)  LDD0732  [20]
 LDCM0416  CL28 HCT 116 C20(1.20); C1040(1.21); C229(0.98); C519(0.83)  LDD0733  [20]
 LDCM0417  CL29 HCT 116 C20(1.20); C1040(1.53); C229(0.94); C519(0.74)  LDD0734  [20]
 LDCM0418  CL3 HCT 116 C20(1.09); C1040(1.43); C229(1.04); C519(1.45)  LDD0735  [20]
 LDCM0419  CL30 HCT 116 C20(1.13); C1040(1.47); C229(1.23); C519(0.93)  LDD0736  [20]
 LDCM0420  CL31 HCT 116 C20(0.99); C1040(0.90); C229(1.01); C519(1.15)  LDD0737  [20]
 LDCM0421  CL32 HCT 116 C20(1.21); C1040(0.74); C229(0.84); C519(0.98)  LDD0738  [20]
 LDCM0422  CL33 HCT 116 C20(1.13); C1040(0.86); C229(0.88); C519(1.12)  LDD0739  [20]
 LDCM0423  CL34 HCT 116 C20(1.04); C1040(0.97); C229(0.98); C519(0.76)  LDD0740  [20]
 LDCM0424  CL35 HCT 116 C20(1.09); C1040(0.97); C229(0.88); C519(0.76)  LDD0741  [20]
 LDCM0425  CL36 HCT 116 C20(1.04); C1040(0.79); C229(0.91); C519(1.00)  LDD0742  [20]
 LDCM0426  CL37 HCT 116 C20(1.05); C1040(0.93); C229(0.83); C519(0.70)  LDD0743  [20]
 LDCM0428  CL39 HCT 116 C20(1.16); C1040(0.79); C229(0.95); C519(0.94)  LDD0745  [20]
 LDCM0429  CL4 HCT 116 C20(1.10); C1040(1.38); C229(0.92); C519(1.48)  LDD0746  [20]
 LDCM0430  CL40 HCT 116 C20(1.17); C1040(0.79); C229(0.84); C519(0.95)  LDD0747  [20]
 LDCM0431  CL41 HCT 116 C20(1.11); C1040(0.93); C229(0.92); C519(1.04)  LDD0748  [20]
 LDCM0432  CL42 HCT 116 C20(1.18); C1040(0.78); C229(0.99); C519(0.60)  LDD0749  [20]
 LDCM0433  CL43 HCT 116 C20(1.07); C1040(0.96); C229(1.00); C519(0.74)  LDD0750  [20]
 LDCM0434  CL44 HCT 116 C20(1.06); C1040(0.90); C229(1.03); C519(1.29)  LDD0751  [20]
 LDCM0435  CL45 HCT 116 C20(1.00); C1040(1.08); C229(0.94); C519(0.79)  LDD0752  [20]
 LDCM0436  CL46 HCT 116 C20(0.90); C1040(1.15); C229(0.83); C519(1.47)  LDD0753  [20]
 LDCM0437  CL47 HCT 116 C20(0.82); C1040(1.46); C229(0.76); C519(1.43)  LDD0754  [20]
 LDCM0438  CL48 HCT 116 C20(0.90); C1040(1.25); C229(0.84); C519(1.50)  LDD0755  [20]
 LDCM0439  CL49 HCT 116 C20(0.87); C1040(1.03); C229(0.97); C519(1.31)  LDD0756  [20]
 LDCM0440  CL5 HCT 116 C20(0.98); C1040(1.33); C229(1.08); C519(1.34)  LDD0757  [20]
 LDCM0441  CL50 HCT 116 C20(0.85); C1040(1.62); C229(0.86); C519(1.50)  LDD0758  [20]
 LDCM0442  CL51 HCT 116 C20(0.93); C1040(1.68); C229(0.88); C519(1.47)  LDD0759  [20]
 LDCM0443  CL52 HCT 116 C20(0.85); C1040(1.75); C229(0.78); C519(1.37)  LDD0760  [20]
 LDCM0444  CL53 HCT 116 C20(0.96); C1040(1.16); C229(0.71); C519(1.19)  LDD0761  [20]
 LDCM0445  CL54 HCT 116 C20(0.86); C1040(1.41); C229(0.81); C519(1.37)  LDD0762  [20]
 LDCM0446  CL55 HCT 116 C20(0.85); C1040(1.40); C229(0.83); C519(1.40)  LDD0763  [20]
 LDCM0447  CL56 HCT 116 C20(1.03); C1040(1.39); C229(0.70); C519(1.11)  LDD0764  [20]
 LDCM0448  CL57 HCT 116 C20(0.91); C1040(1.32); C229(0.89); C519(1.22)  LDD0765  [20]
 LDCM0449  CL58 HCT 116 C20(0.83); C1040(1.31); C229(0.87); C519(1.49)  LDD0766  [20]
 LDCM0450  CL59 HCT 116 C20(1.00); C1040(1.37); C229(0.87); C519(1.40)  LDD0767  [20]
 LDCM0451  CL6 HCT 116 C20(1.02); C1040(1.64); C229(0.99); C519(1.13)  LDD0768  [20]
 LDCM0452  CL60 HCT 116 C20(0.90); C1040(1.39); C229(0.80); C519(1.28)  LDD0769  [20]
 LDCM0453  CL61 HCT 116 C20(1.08); C1040(1.27); C229(1.18); C519(0.84)  LDD0770  [20]
 LDCM0454  CL62 HCT 116 C20(1.18); C1040(1.11); C229(0.99); C519(0.82)  LDD0771  [20]
 LDCM0455  CL63 HCT 116 C20(1.19); C1040(1.02); C229(0.88); C519(0.83)  LDD0772  [20]
 LDCM0456  CL64 HCT 116 C20(1.22); C1040(0.87); C229(0.95); C519(0.75)  LDD0773  [20]
 LDCM0457  CL65 HCT 116 C20(1.01); C1040(1.04); C229(1.12); C519(0.98)  LDD0774  [20]
 LDCM0458  CL66 HCT 116 C20(1.33); C1040(1.16); C229(0.89); C519(0.73)  LDD0775  [20]
 LDCM0459  CL67 HCT 116 C20(1.24); C1040(0.97); C229(0.88); C519(0.74)  LDD0776  [20]
 LDCM0460  CL68 HCT 116 C20(1.17); C1040(0.80); C229(1.09); C519(0.69)  LDD0777  [20]
 LDCM0461  CL69 HCT 116 C20(1.10); C1040(0.98); C229(0.95); C519(0.83)  LDD0778  [20]
 LDCM0462  CL7 HCT 116 C20(1.02); C1040(1.53); C229(1.11); C519(1.07)  LDD0779  [20]
 LDCM0463  CL70 HCT 116 C20(1.38); C1040(0.97); C229(0.89); C519(0.75)  LDD0780  [20]
 LDCM0464  CL71 HCT 116 C20(1.22); C1040(1.04); C229(0.87); C519(0.75)  LDD0781  [20]
 LDCM0465  CL72 HCT 116 C20(1.12); C1040(0.85); C229(1.04); C519(0.78)  LDD0782  [20]
 LDCM0466  CL73 HCT 116 C20(1.26); C1040(1.08); C229(0.93); C519(0.86)  LDD0783  [20]
 LDCM0467  CL74 HCT 116 C20(1.24); C1040(1.01); C229(0.95); C519(0.73)  LDD0784  [20]
 LDCM0469  CL76 HCT 116 C20(1.14); C1040(1.11); C229(0.80); C519(0.74)  LDD0786  [20]
 LDCM0470  CL77 HCT 116 C20(1.21); C1040(0.79); C229(0.56); C519(0.68)  LDD0787  [20]
 LDCM0471  CL78 HCT 116 C20(1.16); C1040(0.96); C229(1.03); C519(0.94)  LDD0788  [20]
 LDCM0472  CL79 HCT 116 C20(1.27); C1040(1.03); C229(0.92); C519(0.76)  LDD0789  [20]
 LDCM0473  CL8 HCT 116 C20(2.61); C1040(1.05); C229(0.97); C519(0.77)  LDD0790  [20]
 LDCM0474  CL80 HCT 116 C20(1.03); C1040(0.96); C229(0.95); C519(0.95)  LDD0791  [20]
 LDCM0475  CL81 HCT 116 C20(1.17); C1040(0.84); C229(0.91); C519(0.87)  LDD0792  [20]
 LDCM0476  CL82 HCT 116 C20(1.67); C1040(0.96); C229(1.13); C519(0.58)  LDD0793  [20]
 LDCM0477  CL83 HCT 116 C20(1.64); C1040(0.77); C229(0.80); C519(0.65)  LDD0794  [20]
 LDCM0478  CL84 HCT 116 C20(2.49); C1040(0.93); C229(0.88); C519(0.44)  LDD0795  [20]
 LDCM0479  CL85 HCT 116 C20(1.28); C1040(1.21); C229(0.97); C519(0.72)  LDD0796  [20]
 LDCM0480  CL86 HCT 116 C20(1.13); C1040(0.99); C229(0.76); C519(1.06)  LDD0797  [20]
 LDCM0481  CL87 HCT 116 C20(1.27); C1040(1.17); C229(0.86); C519(0.92)  LDD0798  [20]
 LDCM0482  CL88 HCT 116 C20(1.43); C1040(0.88); C229(0.92); C519(0.67)  LDD0799  [20]
 LDCM0483  CL89 HCT 116 C20(3.18); C1040(0.71); C229(1.20); C519(0.50)  LDD0800  [20]
 LDCM0484  CL9 HCT 116 C20(1.20); C1040(1.47); C229(1.07); C519(1.04)  LDD0801  [20]
 LDCM0485  CL90 HCT 116 C20(1.06); C1040(0.86); C229(0.73); C519(1.13)  LDD0802  [20]
 LDCM0486  CL91 HCT 116 C20(1.13); C1040(1.30); C229(1.04); C519(0.80)  LDD0803  [20]
 LDCM0487  CL92 HCT 116 C20(1.12); C1040(1.02); C229(1.05); C519(0.86)  LDD0804  [20]
 LDCM0488  CL93 HCT 116 C20(0.89); C1040(1.42); C229(1.13); C519(0.94)  LDD0805  [20]
 LDCM0489  CL94 HCT 116 C20(0.98); C1040(1.07); C229(0.88); C519(0.80)  LDD0806  [20]
 LDCM0490  CL95 HCT 116 C20(1.09); C1040(1.07); C229(0.98); C519(0.75)  LDD0807  [20]
 LDCM0491  CL96 HCT 116 C20(1.04); C1040(1.32); C229(1.04); C519(0.81)  LDD0808  [20]
 LDCM0492  CL97 HCT 116 C20(1.04); C1040(1.03); C229(1.05); C519(0.72)  LDD0809  [20]
 LDCM0493  CL98 HCT 116 C20(1.19); C1040(1.26); C229(1.00); C519(0.91)  LDD0810  [20]
 LDCM0494  CL99 HCT 116 C20(1.03); C1040(1.52); C229(0.89); C519(0.92)  LDD0811  [20]
 LDCM0634  CY-0357 Hep-G2 C20(1.35); C229(0.94); C845(0.56)  LDD2228  [29]
 LDCM0495  E2913 HEK-293T C1040(0.96); C845(1.14); C20(0.90); C519(0.93)  LDD1698  [48]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C633(2.76); C845(1.44); C20(1.13)  LDD1702  [46]
 LDCM0031  Epigallocatechin gallate HEK-293T 7.46  LDD0183  [14]
 LDCM0175  Ethacrynic acid HeLa C20(0.76)  LDD2210  [16]
 LDCM0625  F8 Ramos C1040(0.78); C229(0.60); C633(0.82); C20(0.88)  LDD2187  [49]
 LDCM0572  Fragment10 Ramos C1040(0.51); C229(0.52); C633(0.68); C20(0.26)  LDD2189  [49]
 LDCM0573  Fragment11 Ramos C1040(0.16); C229(0.58); C633(1.16); C845(2.01)  LDD2190  [49]
 LDCM0574  Fragment12 Ramos C1040(0.45); C229(0.50); C633(0.67); C20(0.17)  LDD2191  [49]
 LDCM0575  Fragment13 Ramos C1040(0.71); C229(0.93); C633(1.15); C20(1.59)  LDD2192  [49]
 LDCM0576  Fragment14 Ramos C1040(1.00); C229(0.52); C633(0.94); C20(0.44)  LDD2193  [49]
 LDCM0579  Fragment20 Ramos C1040(0.39); C229(0.44); C633(0.64); C20(0.20)  LDD2194  [49]
 LDCM0580  Fragment21 Ramos C1040(0.65); C229(0.82); C633(0.97); C20(0.27)  LDD2195  [49]
 LDCM0582  Fragment23 Ramos C1040(0.85); C229(1.19); C633(1.05); C20(0.21)  LDD2196  [49]
 LDCM0578  Fragment27 Ramos C1040(0.64); C229(0.92); C633(1.03); C20(0.24)  LDD2197  [49]
 LDCM0586  Fragment28 Ramos C1040(0.38); C229(0.74); C633(1.15); C20(2.05)  LDD2198  [49]
 LDCM0588  Fragment30 Ramos C1040(0.86); C229(1.13); C633(1.23); C20(0.26)  LDD2199  [49]
 LDCM0589  Fragment31 Ramos C1040(0.77); C229(0.98); C633(1.29); C20(0.20)  LDD2200  [49]
 LDCM0590  Fragment32 Ramos C1040(0.41); C229(0.49); C633(0.61); C20(0.22)  LDD2201  [49]
 LDCM0468  Fragment33 HCT 116 C20(1.18); C1040(1.03); C229(0.98); C519(0.72)  LDD0785  [20]
 LDCM0596  Fragment38 Ramos C1040(0.76); C229(1.15); C633(0.85); C20(0.36)  LDD2203  [49]
 LDCM0566  Fragment4 Ramos C1040(0.64); C229(0.66); C633(1.94); C20(0.81)  LDD2184  [49]
 LDCM0427  Fragment51 HCT 116 C20(2.78); C1040(0.79); C229(0.72); C519(0.52)  LDD0744  [20]
 LDCM0610  Fragment52 Ramos C1040(0.88); C229(1.73); C633(1.36); C20(0.45)  LDD2204  [49]
 LDCM0614  Fragment56 Ramos C1040(1.07); C229(1.30); C633(1.20); C20(0.31)  LDD2205  [49]
 LDCM0569  Fragment7 Ramos C1040(0.72); C229(0.76); C633(0.75); C20(0.69)  LDD2186  [49]
 LDCM0571  Fragment9 Ramos C1040(0.38); C229(0.46); C633(0.59); C20(0.22)  LDD2188  [49]
 LDCM0116  HHS-0101 DM93 Y517(0.64); Y682(0.83); Y384(0.96); Y531(0.98)  LDD0264  [18]
 LDCM0117  HHS-0201 DM93 Y517(0.76); Y364(0.82); Y531(0.94); Y384(1.00)  LDD0265  [18]
 LDCM0118  HHS-0301 DM93 Y384(0.84); Y531(0.90); Y364(0.90); Y682(1.03)  LDD0266  [18]
 LDCM0119  HHS-0401 DM93 Y131(0.59); Y517(0.84); Y384(0.91); Y364(0.96)  LDD0267  [18]
 LDCM0120  HHS-0701 DM93 Y364(0.92); Y384(0.95); Y517(1.06); Y531(1.14)  LDD0268  [18]
 LDCM0107  IAA HeLa H997(0.00); H700(0.00); C229(0.00); C633(0.00)  LDD0221  [37]
 LDCM0123  JWB131 DM93 Y384(1.04); Y531(1.41); Y682(1.24); Y704(0.22)  LDD0285  [17]
 LDCM0124  JWB142 DM93 Y384(0.65); Y531(0.60); Y682(1.15); Y692(0.10)  LDD0286  [17]
 LDCM0125  JWB146 DM93 Y384(1.32); Y531(2.06); Y682(1.26); Y692(0.16)  LDD0287  [17]
 LDCM0126  JWB150 DM93 Y384(3.35); Y531(2.14); Y682(4.59); Y692(2.66)  LDD0288  [17]
 LDCM0127  JWB152 DM93 Y384(2.05); Y531(2.50); Y682(2.93); Y692(0.65)  LDD0289  [17]
 LDCM0128  JWB198 DM93 Y384(1.29); Y531(1.06); Y682(1.76); Y704(0.05)  LDD0290  [17]
 LDCM0129  JWB202 DM93 Y384(0.50); Y531(0.60); Y682(0.74); Y704(0.05)  LDD0291  [17]
 LDCM0130  JWB211 DM93 Y384(1.08); Y531(0.93); Y682(1.06); Y692(0.07)  LDD0292  [17]
 LDCM0022  KB02 HCT 116 C20(2.16); C845(1.74); C519(1.56); C229(1.07)  LDD0080  [20]
 LDCM0023  KB03 HCT 116 C20(1.33); C845(1.59); C519(1.51); C229(1.31)  LDD0081  [20]
 LDCM0024  KB05 HCT 116 C20(2.05); C845(1.91); C519(1.65); C229(1.03)  LDD0082  [20]
 LDCM0509  N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide MDA-MB-231 C20(1.11)  LDD2102  [46]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C20(0.49); C1040(1.07)  LDD2121  [46]
 LDCM0109  NEM HeLa H997(0.00); H537(0.00); H700(0.00); H563(0.00)  LDD0223  [37]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C20(0.54); C633(0.60); C1040(0.97); C229(0.79)  LDD2089  [46]
 LDCM0497  Nucleophilic fragment 11b MDA-MB-231 C20(1.38); C633(1.23); C845(1.44)  LDD2090  [46]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C845(0.73)  LDD2092  [46]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C20(1.09); C633(1.00); C1040(1.16); C229(0.87)  LDD2093  [46]
 LDCM0501  Nucleophilic fragment 13b MDA-MB-231 C20(1.03); C845(1.33)  LDD2094  [46]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C20(1.17); C633(0.71); C1040(0.71)  LDD2097  [46]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C845(1.39)  LDD2098  [46]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C20(0.69); C633(0.83); C1040(1.38); C229(1.08)  LDD2099  [46]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C20(1.09); C1040(0.78); C229(0.65); C845(1.71)  LDD2100  [46]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C20(0.49); C1040(0.56); C229(0.92)  LDD2101  [46]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C20(0.98); C1040(0.76)  LDD2104  [46]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C20(1.48); C633(1.35); C1040(1.17); C845(2.09)  LDD2105  [46]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C20(1.03); C1040(1.43); C229(0.77)  LDD2106  [46]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C20(0.77); C633(0.87); C1040(1.29); C845(0.94)  LDD2107  [46]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C20(1.04); C1040(0.89)  LDD2108  [46]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C20(0.94); C633(0.59); C1040(0.54); C845(0.89)  LDD2109  [46]
 LDCM0517  Nucleophilic fragment 21b MDA-MB-231 C20(3.02); C633(0.61)  LDD2110  [46]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C20(0.85); C633(1.06); C1040(1.34); C229(1.16)  LDD2111  [46]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C20(0.72); C633(0.47); C1040(0.96)  LDD2114  [46]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C20(0.53); C633(0.48); C1040(0.38)  LDD2115  [46]
 LDCM0523  Nucleophilic fragment 24b MDA-MB-231 C20(2.80); C845(0.87)  LDD2116  [46]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C1040(1.15); C845(0.68)  LDD2118  [46]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C20(2.74); C1040(1.38); C229(0.80)  LDD2119  [46]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C633(0.79); C845(0.66)  LDD2120  [46]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C1040(0.71); C845(0.90)  LDD2122  [46]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C20(0.68); C633(0.75); C1040(1.18); C845(1.05)  LDD2123  [46]
 LDCM0531  Nucleophilic fragment 28b MDA-MB-231 C20(0.45)  LDD2124  [46]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C20(0.69); C633(0.75); C1040(0.89); C229(0.79)  LDD2125  [46]
 LDCM0533  Nucleophilic fragment 29b MDA-MB-231 C1040(0.51)  LDD2126  [46]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C20(0.74); C633(0.89); C1040(1.39)  LDD2127  [46]
 LDCM0535  Nucleophilic fragment 30b MDA-MB-231 C633(0.82); C845(0.57)  LDD2128  [46]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C20(0.75); C1040(1.52); C229(1.16)  LDD2129  [46]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C633(0.73); C1040(0.82)  LDD2133  [46]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C20(0.57); C633(0.47); C1040(0.61); C229(0.29)  LDD2134  [46]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C20(0.69); C633(0.97); C1040(2.54); C229(0.89)  LDD2135  [46]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C633(1.10); C845(1.43)  LDD2136  [46]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C20(0.84); C633(0.94); C1040(1.16); C229(0.89)  LDD2137  [46]
 LDCM0211  Nucleophilic fragment 3b MDA-MB-231 C1040(3.23); C20(1.26); C229(1.11)  LDD1700  [46]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C20(0.70); C1040(0.92); C229(0.73); C845(1.04)  LDD2140  [46]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C20(0.80); C1040(0.71); C229(0.54); C845(0.58)  LDD2141  [46]
 LDCM0549  Nucleophilic fragment 43 MDA-MB-231 C633(0.97); C845(0.61)  LDD2143  [46]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C1040(1.83); C229(0.92); C845(1.20)  LDD2144  [46]
 LDCM0551  Nucleophilic fragment 5b MDA-MB-231 C20(15.05)  LDD2145  [46]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C1040(1.05); C229(0.81); C845(1.05)  LDD2146  [46]
 LDCM0553  Nucleophilic fragment 6b MDA-MB-231 C845(0.95)  LDD2147  [46]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C20(0.50); C633(0.51); C1040(0.36)  LDD2148  [46]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C20(0.39); C633(0.42); C1040(0.62); C229(0.67)  LDD2150  [46]
 LDCM0557  Nucleophilic fragment 8b MDA-MB-231 C845(1.26)  LDD2151  [46]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C20(2.03)  LDD2153  [46]
 LDCM0628  OTUB2-COV-1 HEK-293T C20(0.82)  LDD2207  [50]
 LDCM0131  RA190 MM1.R C845(1.30); C20(1.14); C229(0.72)  LDD0304  [51]
 LDCM0016  Ranjitkar_cp1 MDA-MB-231 2.08  LDD0123  [13]
 LDCM0019  Staurosporine Hep-G2 2.17  LDD0083  [43]
 LDCM0021  THZ1 HeLa S3 C633(1.06)  LDD0460  [12]
 LDCM0112  W16 Hep-G2 C20(0.52)  LDD0239  [38]

The Interaction Atlas With This Target

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
Bempedoic Acid Small molecular drug D0D9NY
Investigative
Click To Hide/Show 2 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
(-)-hydroxycitrate Small molecular drug D0IC1N
Sb-201076 Small molecular drug D09AXB

References

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Mass spectrometry data entry: PXD037665
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Mass spectrometry data entry: PXD028270
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Mass spectrometry data entry: PXD043348
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Mass spectrometry data entry: PXD044625
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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: PXD029255
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Mass spectrometry data entry: PXD041264
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Mass spectrometry data entry: PXD001377 , PXD005252
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Mass spectrometry data entry: PXD039908 , PXD029761
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