Details of the Target

General Information of Target

Target ID LDTP01787
Target Name Phosphoglycerate kinase 1 (PGK1)
Gene Name PGK1
Gene ID 5230
Synonyms
PGKA; Phosphoglycerate kinase 1; EC 2.7.2.3; Cell migration-inducing gene 10 protein; Primer recognition protein 2; PRP 2
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MSLSNKLTLDKLDVKGKRVVMRVDFNVPMKNNQITNNQRIKAAVPSIKFCLDNGAKSVVL
MSHLGRPDGVPMPDKYSLEPVAVELKSLLGKDVLFLKDCVGPEVEKACANPAAGSVILLE
NLRFHVEEEGKGKDASGNKVKAEPAKIEAFRASLSKLGDVYVNDAFGTAHRAHSSMVGVN
LPQKAGGFLMKKELNYFAKALESPERPFLAILGGAKVADKIQLINNMLDKVNEMIIGGGM
AFTFLKVLNNMEIGTSLFDEEGAKIVKDLMSKAEKNGVKITLPVDFVTADKFDENAKTGQ
ATVASGIPAGWMGLDCGPESSKKYAEAVTRAKQIVWNGPVGVFEWEAFARGTKALMDEVV
KATSRGCITIIGGGDTATCCAKWNTEDKVSHVSTGGGASLELLEGKVLPGVDALSNI
Target Bioclass
Enzyme
Family
Phosphoglycerate kinase family
Subcellular location
Cytoplasm
Function
Catalyzes one of the two ATP producing reactions in the glycolytic pathway via the reversible conversion of 1,3-diphosphoglycerate to 3-phosphoglycerate. In addition to its role as a glycolytic enzyme, it seems that PGK-1 acts as a polymerase alpha cofactor protein (primer recognition protein). May play a role in sperm motility.
Uniprot ID
P00558
Ensemble ID
ENST00000373316.5
HGNC ID
HGNC:8896
ChEMBL ID
CHEMBL2886

Target Site Mutations in Different Cell Lines

Cell line Mutation details Probe for labeling this protein in this cell
CAL148 SNV: p.Q333H DBIA    Probe Info 
CCK81 SNV: p.K216T DBIA    Probe Info 
SKMEL28 SNV: p.M312V DBIA    Probe Info 

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 60 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
Hsieh_2
 Probe Info  		N.A.  LDD0425  [1]
P2
 Probe Info  		2.43  LDD0449  [2]
P3
 Probe Info  		2.14  LDD0450  [2]
P8
 Probe Info  		2.75  LDD0451  [2]
A-EBA
 Probe Info  		4.93  LDD0215  [3]
CY4
 Probe Info  		2.85  LDD0244  [4]
N1
 Probe Info  		2.17  LDD0242  [4]
C-Sul
 Probe Info  		2.31  LDD0066  [5]
TH211
 Probe Info  		Y196(17.57); Y76(14.40); Y324(11.67)  LDD0257  [6]
TH214
 Probe Info  		Y196(20.00); Y161(16.49); Y324(12.71)  LDD0258  [6]
TH216
 Probe Info  		Y161(12.91); Y324(10.64)  LDD0259  [6]
YN-4
 Probe Info  		100.00  LDD0445  [7]
BTD
 Probe Info  		C99(1.73); C367(2.75); C50(2.91)  LDD1699  [8]
AZ-9
 Probe Info  		E260(0.99); E294(1.33); T288(1.33); S256(1.00)  LDD2208  [9]
ONAyne
 Probe Info  		K323(0.00); K267(0.00); K146(0.00); K353(0.00)  LDD0273  [10]
OPA-S-S-alkyne
 Probe Info  		K146(1.57); K30(2.54); K361(3.45); K323(5.55)  LDD3494  [11]
Probe 1
 Probe Info  		Y76(406.50); Y161(26.67); Y196(167.19); Y324(72.94)  LDD3495  [12]
JZ128-DTB
 Probe Info  		C50(0.00); C99(0.00); C316(0.00); C380(0.00)  LDD0462  [13]
THZ1-DTB
 Probe Info  		C99(1.11); C367(1.07); C380(1.06); C50(1.06)  LDD0460  [13]
DA-P3
 Probe Info  		4.67  LDD0183  [14]
AHL-Pu-1
 Probe Info  		C99(2.51); C50(2.98)  LDD0170  [15]
HHS-482
 Probe Info  		Y161(1.15); Y196(0.99); Y324(1.08); Y76(0.85)  LDD0285  [16]
HHS-475
 Probe Info  		Y161(0.86); Y324(0.88); Y76(0.91); Y196(1.17)  LDD0264  [17]
HHS-465
 Probe Info  		Y161(8.03); Y196(8.82); Y324(10.00); Y76(5.63)  LDD2237  [18]
DBIA
 Probe Info  		C108(0.96); C379(0.87); C380(0.87)  LDD0078  [19]
5E-2FA
 Probe Info  		H173(0.00); H125(0.00); H170(0.00)  LDD2235  [20]
AMP probe
 Probe Info  		K216(0.00); K131(0.00); K133(0.00); K41(0.00)  LDD0200  [21]
ATP probe
 Probe Info  		K216(0.00); K131(0.00); K133(0.00); K41(0.00)  LDD0199  [21]
4-Iodoacetamidophenylacetylene
 Probe Info  		C108(0.00); C99(0.00); C50(0.00); C379(0.00)  LDD0038  [22]
IA-alkyne
 Probe Info  		C108(0.00); C316(0.00); C50(0.00); C367(0.00)  LDD0032  [23]
IPIAA_H
 Probe Info  		C50(0.00); C316(0.00); C99(0.00); C108(0.00)  LDD0030  [24]
IPIAA_L
 Probe Info  		C316(0.00); C108(0.00); C99(0.00); C50(0.00)  LDD0031  [24]
Lodoacetamide azide
 Probe Info  		C108(0.00); C99(0.00); C50(0.00); C379(0.00)  LDD0037  [22]
ATP probe
 Probe Info  		K184(0.00); K11(0.00); K279(0.00); K91(0.00)  LDD0035  [25]
IPM
 Probe Info  		C316(0.00); C379(0.00); C380(0.00); C50(0.00)  LDD0025  [26]
JW-RF-010
 Probe Info  		C367(0.00); C99(0.00); C316(0.00); C108(0.00)  LDD0026  [26]
NAIA_4
 Probe Info  		C50(0.00); C99(0.00); C108(0.00); C316(0.00)  LDD2226  [27]
TFBX
 Probe Info  		C380(0.00); C367(0.00)  LDD0027  [26]
WYneC
 Probe Info  		N.A.  LDD0014  [28]
WYneN
 Probe Info  		C108(0.00); C50(0.00); C367(0.00)  LDD0021  [28]
KY-26
 Probe Info  		K323(0.00); Y76(0.00)  LDD0301  [29]
1d-yne
 Probe Info  		K156(0.00); K199(0.00); K279(0.00); K332(0.00)  LDD0356  [30]
Compound 10
 Probe Info  		C108(0.00); C316(0.00); C367(0.00); C379(0.00)  LDD2216  [31]
Compound 11
 Probe Info  		C108(0.00); C316(0.00); C367(0.00)  LDD2213  [31]
ENE
 Probe Info  		C50(0.00); C367(0.00)  LDD0006  [28]
NHS
 Probe Info  		K264(0.00); K91(0.00); K279(0.00); K131(0.00)  LDD0010  [28]
OSF
 Probe Info  		N.A.  LDD0029  [32]
PF-06672131
 Probe Info  		C108(0.00); C316(0.00)  LDD0017  [33]
SF
 Probe Info  		K146(0.00); K75(0.00); K133(0.00); Y324(0.00)  LDD0028  [32]
STPyne
 Probe Info  		K131(0.00); K106(0.00)  LDD0009  [28]
VSF
 Probe Info  		N.A.  LDD0007  [28]
YN-1
 Probe Info  		C108(0.00); C316(0.00)  LDD0446  [7]
Ox-W18
 Probe Info  		N.A.  LDD2175  [34]
1c-yne
 Probe Info  		K30(0.00); K353(0.00); K388(0.00); K156(0.00)  LDD0228  [30]
Acrolein
 Probe Info  		C316(0.00); C108(0.00); H173(0.00); H125(0.00)  LDD0217  [35]
Cinnamaldehyde
 Probe Info  		N.A.  LDD0220  [35]
Crotonaldehyde
 Probe Info  		C108(0.00); C367(0.00); C50(0.00); C379(0.00)  LDD0219  [35]
Methacrolein
 Probe Info  		C367(0.00); C316(0.00); H173(0.00); C108(0.00)  LDD0218  [35]
m-APA
 Probe Info  		N.A.  LDD0404  [36]
NAIA_5
 Probe Info  		C50(0.00); C108(0.00); C99(0.00); C316(0.00)  LDD2223  [27]
PAL-AfBPP Probe
Click To Hide/Show 9 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
C044
 Probe Info  		5.74  LDD1743  [37]
C249
 Probe Info  		12.04  LDD1922  [37]
FFF probe3
 Probe Info  		6.57  LDD0465  [38]
STS-2
 Probe Info  		N.A.  LDD0138  [39]
VE-P
 Probe Info  		N.A.  LDD0396  [40]
Diazir
 Probe Info  		N.A.  LDD0011  [28]
DA-2
 Probe Info  		N.A.  LDD0070  [41]
KIRA6 AfBP
 Probe Info  		N.A.  LDD0378  [42]
STS-1
 Probe Info  		N.A.  LDD0068  [43]

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 C99(0.66); C50(0.62)  LDD2142  [8]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C99(0.71)  LDD2112  [8]
 LDCM0502  1-(Cyanoacetyl)piperidine MDA-MB-231 C99(0.96); C316(0.51); C50(0.49)  LDD2095  [8]
 LDCM0537  2-Cyano-N,N-dimethylacetamide MDA-MB-231 C99(0.59); C316(0.91); C50(0.96); C367(0.99)  LDD2130  [8]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C99(1.68); C316(1.07); C50(1.86); C367(1.00)  LDD2117  [8]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C99(0.57); C316(0.48)  LDD2132  [8]
 LDCM0538  4-(Cyanoacetyl)morpholine MDA-MB-231 C99(0.87); C50(0.47)  LDD2131  [8]
 LDCM0025  4SU-RNA DM93 C99(2.51); C50(2.98)  LDD0170  [15]
 LDCM0214  AC1 HCT 116 C367(1.12); C379(1.44); C380(1.60)  LDD0531  [19]
 LDCM0215  AC10 HCT 116 C99(0.89); C316(1.94); C367(0.89); C379(1.30)  LDD0532  [19]
 LDCM0216  AC100 HCT 116 C108(0.90); C99(4.75); C316(3.26); C367(0.97)  LDD0533  [19]
 LDCM0217  AC101 HCT 116 C108(0.85); C99(1.26); C316(1.49); C367(0.99)  LDD0534  [19]
 LDCM0218  AC102 HCT 116 C108(0.80); C99(0.86); C316(2.78); C367(0.81)  LDD0535  [19]
 LDCM0219  AC103 HCT 116 C108(0.59); C99(0.70); C316(0.79); C367(0.85)  LDD0536  [19]
 LDCM0220  AC104 HCT 116 C108(0.58); C99(0.83); C316(0.81); C367(1.03)  LDD0537  [19]
 LDCM0221  AC105 HCT 116 C108(0.69); C99(1.59); C316(2.31); C367(0.80)  LDD0538  [19]
 LDCM0222  AC106 HCT 116 C108(0.72); C99(1.40); C316(1.37); C367(0.77)  LDD0539  [19]
 LDCM0223  AC107 HCT 116 C108(0.59); C99(0.47); C316(0.49); C367(1.00)  LDD0540  [19]
 LDCM0224  AC108 HCT 116 C108(1.04); C99(0.85); C316(1.35); C367(0.93)  LDD0541  [19]
 LDCM0225  AC109 HCT 116 C108(1.05); C99(0.58); C316(1.33); C367(0.92)  LDD0542  [19]
 LDCM0226  AC11 HCT 116 C99(0.93); C316(1.91); C367(0.81); C379(1.37)  LDD0543  [19]
 LDCM0227  AC110 HCT 116 C108(0.72); C99(0.84); C316(1.08); C367(0.78)  LDD0544  [19]
 LDCM0228  AC111 HCT 116 C108(0.59); C99(0.63); C316(1.08); C367(0.77)  LDD0545  [19]
 LDCM0229  AC112 HCT 116 C108(0.80); C99(0.49); C316(0.78); C367(0.80)  LDD0546  [19]
 LDCM0230  AC113 HCT 116 C50(2.40); C367(1.11); C379(0.96); C380(0.99)  LDD0547  [19]
 LDCM0231  AC114 HCT 116 C50(2.54); C367(1.02); C379(1.01); C380(1.05)  LDD0548  [19]
 LDCM0232  AC115 HCT 116 C50(2.20); C367(0.85); C379(0.96); C380(0.98)  LDD0549  [19]
 LDCM0233  AC116 HCT 116 C50(2.49); C367(0.88); C379(0.93); C380(0.94)  LDD0550  [19]
 LDCM0234  AC117 HCT 116 C50(2.33); C367(1.10); C379(1.03); C380(1.04)  LDD0551  [19]
 LDCM0235  AC118 HCT 116 C50(2.48); C367(1.02); C379(0.96); C380(1.00)  LDD0552  [19]
 LDCM0236  AC119 HCT 116 C50(2.45); C367(0.93); C379(0.92); C380(0.92)  LDD0553  [19]
 LDCM0237  AC12 HCT 116 C99(1.50); C316(0.96); C367(0.84); C379(1.01)  LDD0554  [19]
 LDCM0238  AC120 HCT 116 C50(2.55); C367(0.88); C379(1.04); C380(1.01)  LDD0555  [19]
 LDCM0239  AC121 HCT 116 C50(1.90); C367(1.04); C379(0.89); C380(0.94)  LDD0556  [19]
 LDCM0240  AC122 HCT 116 C50(2.31); C367(1.02); C379(0.90); C380(0.95)  LDD0557  [19]
 LDCM0241  AC123 HCT 116 C50(2.01); C367(1.11); C379(1.00); C380(1.10)  LDD0558  [19]
 LDCM0242  AC124 HCT 116 C50(2.40); C367(1.03); C379(0.98); C380(0.99)  LDD0559  [19]
 LDCM0243  AC125 HCT 116 C50(2.06); C367(1.00); C379(0.92); C380(0.95)  LDD0560  [19]
 LDCM0244  AC126 HCT 116 C50(1.62); C367(0.89); C379(0.82); C380(0.82)  LDD0561  [19]
 LDCM0245  AC127 HCT 116 C50(2.37); C367(0.94); C379(0.85); C380(0.89)  LDD0562  [19]
 LDCM0246  AC128 HCT 116 C108(0.35); C99(0.22); C316(0.33); C367(0.58)  LDD0563  [19]
 LDCM0247  AC129 HCT 116 C108(1.37); C99(1.32); C316(1.87); C367(0.96)  LDD0564  [19]
 LDCM0249  AC130 HCT 116 C108(0.94); C99(1.37); C316(1.01); C367(1.14)  LDD0566  [19]
 LDCM0250  AC131 HCT 116 C108(0.94); C99(1.04); C316(1.45); C367(0.96)  LDD0567  [19]
 LDCM0251  AC132 HCT 116 C108(1.14); C99(1.43); C316(1.52); C367(1.00)  LDD0568  [19]
 LDCM0252  AC133 HCT 116 C108(0.82); C99(1.26); C316(1.27); C367(0.94)  LDD0569  [19]
 LDCM0253  AC134 HCT 116 C108(0.94); C99(0.99); C316(0.90); C367(0.72)  LDD0570  [19]
 LDCM0254  AC135 HCT 116 C108(0.81); C99(1.00); C316(1.04); C367(1.05)  LDD0571  [19]
 LDCM0255  AC136 HCT 116 C108(1.03); C99(0.94); C316(1.52); C367(0.90)  LDD0572  [19]
 LDCM0256  AC137 HCT 116 C108(1.12); C99(1.42); C316(1.56); C367(1.03)  LDD0573  [19]
 LDCM0257  AC138 HCT 116 C108(1.02); C99(0.97); C316(0.92); C367(0.83)  LDD0574  [19]
 LDCM0258  AC139 HCT 116 C108(1.04); C99(1.39); C316(1.23); C367(1.11)  LDD0575  [19]
 LDCM0259  AC14 HCT 116 C99(1.22); C316(1.51); C367(0.89); C379(1.19)  LDD0576  [19]
 LDCM0260  AC140 HCT 116 C108(1.24); C99(1.23); C316(1.19); C367(0.85)  LDD0577  [19]
 LDCM0261  AC141 HCT 116 C108(0.94); C99(0.95); C316(1.28); C367(0.93)  LDD0578  [19]
 LDCM0262  AC142 HCT 116 C108(1.00); C99(1.56); C316(1.22); C367(1.15)  LDD0579  [19]
 LDCM0263  AC143 HCT 116 C99(1.02); C50(0.98); C316(1.10); C367(0.91)  LDD0580  [19]
 LDCM0264  AC144 HCT 116 C379(0.90); C367(0.91); C380(0.93); C50(1.06)  LDD0581  [19]
 LDCM0265  AC145 HCT 116 C367(0.88); C379(0.98); C380(1.00); C316(1.04)  LDD0582  [19]
 LDCM0266  AC146 HCT 116 C367(0.87); C379(0.91); C380(0.96); C50(1.05)  LDD0583  [19]
 LDCM0267  AC147 HCT 116 C99(0.82); C316(0.84); C50(0.88); C367(0.93)  LDD0584  [19]
 LDCM0268  AC148 HCT 116 C99(0.09); C316(0.09); C379(0.51); C380(0.57)  LDD0585  [19]
 LDCM0269  AC149 HCT 116 C99(0.77); C316(0.86); C379(0.98); C50(1.02)  LDD0586  [19]
 LDCM0270  AC15 HCT 116 C99(0.86); C367(0.86); C316(1.30); C379(1.34)  LDD0587  [19]
 LDCM0271  AC150 HCT 116 C367(0.92); C50(1.03); C379(1.19); C380(1.23)  LDD0588  [19]
 LDCM0272  AC151 HCT 116 C367(0.97); C50(1.07); C316(1.08); C379(1.16)  LDD0589  [19]
 LDCM0273  AC152 HCT 116 C316(0.53); C99(0.58); C367(0.88); C379(0.92)  LDD0590  [19]
 LDCM0274  AC153 HCT 116 C99(0.06); C316(0.07); C379(0.43); C380(0.48)  LDD0591  [19]
 LDCM0621  AC154 HCT 116 C99(0.97); C50(1.07); C316(0.83); C367(0.87)  LDD2158  [19]
 LDCM0622  AC155 HCT 116 C99(1.16); C50(1.17); C316(1.11); C367(0.96)  LDD2159  [19]
 LDCM0623  AC156 HCT 116 C99(0.85); C50(1.18); C316(1.21); C367(0.83)  LDD2160  [19]
 LDCM0624  AC157 HCT 116 C99(0.76); C50(1.25); C316(0.82); C367(0.83)  LDD2161  [19]
 LDCM0276  AC17 HCT 116 C99(0.80); C316(0.96); C367(1.06); C380(1.23)  LDD0593  [19]
 LDCM0277  AC18 HCT 116 C316(0.71); C367(0.80); C99(0.94); C379(1.24)  LDD0594  [19]
 LDCM0278  AC19 HCT 116 C99(0.71); C316(0.89); C367(0.98); C379(1.41)  LDD0595  [19]
 LDCM0279  AC2 HCT 116 C367(1.27); C379(1.68); C380(1.80)  LDD0596  [19]
 LDCM0280  AC20 HCT 116 C367(0.54); C316(0.83); C99(1.04); C379(1.15)  LDD0597  [19]
 LDCM0281  AC21 HCT 116 C99(0.63); C316(0.75); C367(0.78); C379(0.85)  LDD0598  [19]
 LDCM0282  AC22 HCT 116 C99(0.76); C316(0.77); C367(0.85); C379(1.06)  LDD0599  [19]
 LDCM0283  AC23 HCT 116 C316(0.71); C367(0.73); C99(0.76); C379(1.00)  LDD0600  [19]
 LDCM0284  AC24 HCT 116 C367(0.80); C99(0.85); C316(0.94); C379(1.42)  LDD0601  [19]
 LDCM0285  AC25 HCT 116 C367(0.97); C379(1.11); C380(1.23); C316(1.28)  LDD0602  [19]
 LDCM0286  AC26 HCT 116 C367(1.10); C316(1.21); C379(1.36); C380(1.50)  LDD0603  [19]
 LDCM0287  AC27 HCT 116 C379(0.78); C380(0.83); C367(1.02); C316(1.18)  LDD0604  [19]
 LDCM0288  AC28 HCT 116 C367(0.88); C379(1.00); C380(1.07); C316(1.08)  LDD0605  [19]
 LDCM0289  AC29 HCT 116 C379(0.95); C367(1.07); C380(1.09); C316(1.12)  LDD0606  [19]
 LDCM0290  AC3 HCT 116 C367(1.16); C379(1.26); C380(1.33)  LDD0607  [19]
 LDCM0291  AC30 HCT 116 C316(0.90); C367(0.99); C379(1.02); C380(1.15)  LDD0608  [19]
 LDCM0292  AC31 HCT 116 C379(1.00); C367(1.10); C380(1.11); C316(1.12)  LDD0609  [19]
 LDCM0293  AC32 HCT 116 C316(0.89); C367(1.16); C379(1.30); C380(1.40)  LDD0610  [19]
 LDCM0294  AC33 HCT 116 C316(0.92); C379(1.09); C367(1.14); C380(1.15)  LDD0611  [19]
 LDCM0295  AC34 HCT 116 C316(0.71); C379(0.88); C367(0.99); C380(1.02)  LDD0612  [19]
 LDCM0296  AC35 HCT 116 C380(0.87); C379(0.91); C316(0.96); C99(1.02)  LDD0613  [19]
 LDCM0297  AC36 HCT 116 C99(0.90); C379(1.18); C380(1.30); C316(1.31)  LDD0614  [19]
 LDCM0298  AC37 HCT 116 C379(0.85); C380(1.05); C367(1.36); C316(1.65)  LDD0615  [19]
 LDCM0299  AC38 HCT 116 C379(0.80); C380(0.87); C367(1.17); C316(1.31)  LDD0616  [19]
 LDCM0300  AC39 HCT 116 C379(0.85); C380(0.95); C50(1.19); C367(1.26)  LDD0617  [19]
 LDCM0301  AC4 HCT 116 C367(1.01); C379(1.08); C380(1.14)  LDD0618  [19]
 LDCM0302  AC40 HCT 116 C316(0.42); C99(0.47); C50(0.53); C379(0.55)  LDD0619  [19]
 LDCM0303  AC41 HCT 116 C367(1.07); C50(1.11); C316(1.12); C379(1.12)  LDD0620  [19]
 LDCM0304  AC42 HCT 116 C379(0.77); C316(0.82); C380(0.83); C99(0.92)  LDD0621  [19]
 LDCM0305  AC43 HCT 116 C379(0.91); C380(0.95); C316(1.10); C367(1.12)  LDD0622  [19]
 LDCM0306  AC44 HCT 116 C99(0.63); C316(0.72); C50(0.80); C379(0.82)  LDD0623  [19]
 LDCM0307  AC45 HCT 116 C316(0.36); C99(0.36); C50(0.46); C379(0.61)  LDD0624  [19]
 LDCM0308  AC46 HCT 116 C379(0.95); C380(0.98); C316(1.03); C108(1.60)  LDD0625  [19]
 LDCM0309  AC47 HCT 116 C379(0.90); C380(0.95); C108(1.00); C316(1.07)  LDD0626  [19]
 LDCM0310  AC48 HCT 116 C379(0.72); C380(0.77); C108(1.33); C316(1.70)  LDD0627  [19]
 LDCM0311  AC49 HCT 116 C108(0.09); C316(0.15); C380(0.59); C379(0.60)  LDD0628  [19]
 LDCM0312  AC5 HCT 116 C367(1.00); C379(1.40); C380(1.60)  LDD0629  [19]
 LDCM0313  AC50 HCT 116 C108(0.18); C316(0.31); C380(0.67); C379(0.71)  LDD0630  [19]
 LDCM0314  AC51 HCT 116 C379(0.78); C380(0.83); C316(2.64); C108(4.70)  LDD0631  [19]
 LDCM0315  AC52 HCT 116 C316(1.05); C380(1.17); C379(1.17); C108(1.27)  LDD0632  [19]
 LDCM0316  AC53 HCT 116 C108(0.48); C316(0.70); C380(0.78); C379(0.80)  LDD0633  [19]
 LDCM0317  AC54 HCT 116 C108(0.40); C316(0.52); C380(0.90); C379(0.96)  LDD0634  [19]
 LDCM0318  AC55 HCT 116 C108(0.11); C316(0.19); C380(0.52); C379(0.54)  LDD0635  [19]
 LDCM0319  AC56 HCT 116 C108(0.04); C316(0.09); C380(0.44); C379(0.46)  LDD0636  [19]
 LDCM0320  AC57 HCT 116 C380(1.19); C379(1.22); C367(1.29); C316(1.31)  LDD0637  [19]
 LDCM0321  AC58 HCT 116 C379(0.85); C380(0.86); C367(1.27); C316(1.31)  LDD0638  [19]
 LDCM0322  AC59 HCT 116 C108(0.58); C316(0.63); C99(0.79); C367(0.88)  LDD0639  [19]
 LDCM0323  AC6 HCT 116 C367(0.84); C99(1.03); C379(1.08); C380(1.12)  LDD0640  [19]
 LDCM0324  AC60 HCT 116 C316(1.10); C380(1.11); C379(1.28); C367(1.46)  LDD0641  [19]
 LDCM0325  AC61 HCT 116 C367(1.58); C379(1.59); C380(1.64); C316(1.81)  LDD0642  [19]
 LDCM0326  AC62 HCT 116 C108(0.39); C316(0.54); C99(0.59); C367(0.69)  LDD0643  [19]
 LDCM0327  AC63 HCT 116 C380(1.02); C379(1.12); C367(1.25); C108(1.25)  LDD0644  [19]
 LDCM0328  AC64 HCT 116 C108(0.40); C316(0.57); C99(0.65); C50(0.88)  LDD0645  [19]
 LDCM0329  AC65 HCT 116 C316(1.06); C99(1.22); C367(1.28); C50(1.32)  LDD0646  [19]
 LDCM0330  AC66 HCT 116 C108(1.23); C316(1.26); C50(1.52); C379(1.59)  LDD0647  [19]
 LDCM0331  AC67 HCT 116 C108(0.05); C99(0.09); C316(0.09); C367(0.38)  LDD0648  [19]
 LDCM0332  AC68 HCT 116 C316(0.69); C50(0.74); C380(0.78); C379(0.80)  LDD0649  [19]
 LDCM0333  AC69 HCT 116 C367(0.70); C380(0.71); C379(0.79); C108(0.83)  LDD0650  [19]
 LDCM0334  AC7 HCT 116 C367(0.93); C99(1.06); C379(1.23); C316(1.44)  LDD0651  [19]
 LDCM0335  AC70 HCT 116 C108(0.14); C316(0.21); C50(0.38); C99(0.42)  LDD0652  [19]
 LDCM0336  AC71 HCT 116 C380(0.84); C379(0.91); C367(0.93); C108(1.09)  LDD0653  [19]
 LDCM0337  AC72 HCT 116 C380(0.81); C367(0.82); C316(0.82); C379(0.84)  LDD0654  [19]
 LDCM0338  AC73 HCT 116 C108(0.05); C50(0.09); C316(0.09); C99(0.13)  LDD0655  [19]
 LDCM0339  AC74 HCT 116 C108(0.07); C316(0.10); C50(0.13); C99(0.18)  LDD0656  [19]
 LDCM0340  AC75 HCT 116 C108(0.04); C50(0.07); C316(0.07); C99(0.11)  LDD0657  [19]
 LDCM0341  AC76 HCT 116 C108(0.40); C316(0.50); C380(0.52); C50(0.58)  LDD0658  [19]
 LDCM0342  AC77 HCT 116 C108(0.41); C367(0.55); C380(0.58); C316(0.59)  LDD0659  [19]
 LDCM0343  AC78 HCT 116 C367(0.95); C380(0.97); C379(0.99); C108(1.03)  LDD0660  [19]
 LDCM0344  AC79 HCT 116 C108(0.72); C380(0.82); C316(0.86); C379(0.86)  LDD0661  [19]
 LDCM0345  AC8 HCT 116 C99(0.82); C367(0.89); C379(1.14); C380(1.33)  LDD0662  [19]
 LDCM0346  AC80 HCT 116 C108(0.66); C380(0.69); C316(0.74); C367(0.75)  LDD0663  [19]
 LDCM0347  AC81 HCT 116 C316(0.44); C108(0.57); C50(0.63); C380(0.71)  LDD0664  [19]
 LDCM0348  AC82 HCT 116 C108(0.04); C316(0.07); C50(0.09); C99(0.13)  LDD0665  [19]
 LDCM0349  AC83 HCT 116 C99(0.18); C108(0.23); C316(0.40); C367(0.48)  LDD0666  [19]
 LDCM0350  AC84 HCT 116 C99(0.37); C108(0.50); C367(0.56); C50(0.61)  LDD0667  [19]
 LDCM0351  AC85 HCT 116 C316(1.03); C99(1.16); C108(1.20); C379(1.30)  LDD0668  [19]
 LDCM0352  AC86 HCT 116 C316(1.04); C379(1.11); C380(1.11); C108(1.12)  LDD0669  [19]
 LDCM0353  AC87 HCT 116 C108(0.83); C99(0.93); C316(1.02); C379(1.11)  LDD0670  [19]
 LDCM0354  AC88 HCT 116 C99(0.77); C108(0.89); C379(0.92); C380(0.92)  LDD0671  [19]
 LDCM0355  AC89 HCT 116 C380(0.81); C367(0.82); C379(0.82); C99(0.83)  LDD0672  [19]
 LDCM0357  AC90 HCT 116 C316(1.30); C99(1.62); C379(2.01); C380(2.02)  LDD0674  [19]
 LDCM0358  AC91 HCT 116 C99(0.14); C108(0.18); C316(0.35); C50(0.46)  LDD0675  [19]
 LDCM0359  AC92 HCT 116 C99(0.32); C50(0.36); C108(0.40); C379(0.51)  LDD0676  [19]
 LDCM0360  AC93 HCT 116 C316(0.96); C379(0.98); C380(1.00); C108(1.03)  LDD0677  [19]
 LDCM0361  AC94 HCT 116 C316(1.11); C108(1.23); C379(1.43); C380(1.46)  LDD0678  [19]
 LDCM0362  AC95 HCT 116 C99(1.03); C316(1.04); C379(1.11); C380(1.11)  LDD0679  [19]
 LDCM0363  AC96 HCT 116 C379(0.82); C380(0.85); C99(0.88); C108(0.96)  LDD0680  [19]
 LDCM0364  AC97 HCT 116 C99(0.54); C108(0.66); C367(0.74); C50(0.83)  LDD0681  [19]
 LDCM0365  AC98 HCT 116 C316(0.03); C108(0.05); C99(0.05); C379(0.47)  LDD0682  [19]
 LDCM0366  AC99 HCT 116 C379(0.79); C380(0.80); C367(0.85); C108(0.92)  LDD0683  [19]
 LDCM0545  Acetamide MDA-MB-231 C99(1.18); C50(0.84)  LDD2138  [8]
 LDCM0520  AKOS000195272 MDA-MB-231 C50(0.73)  LDD2113  [8]
 LDCM0248  AKOS034007472 HCT 116 C99(1.26); C316(20.00); C367(1.06); C379(1.31)  LDD0565  [19]
 LDCM0356  AKOS034007680 HCT 116 C367(0.95); C99(1.12); C379(1.37); C380(1.51)  LDD0673  [19]
 LDCM0275  AKOS034007705 HCT 116 C99(0.25); C316(0.26); C367(0.54); C379(0.78)  LDD0592  [19]
 LDCM0156  Aniline NCI-H1299 N.A.  LDD0404  [36]
 LDCM0020  ARS-1620 HCC44 C108(0.96); C379(0.87); C380(0.87)  LDD0078  [19]
 LDCM0106  BDHI 18 Jurkat C50(13.83)  LDD0208  [44]
 LDCM0498  BS-3668 MDA-MB-231 C99(0.89); C316(1.26); C50(1.00); C108(0.75)  LDD2091  [8]
 LDCM0630  CCW28-3 231MFP C108(1.43); C316(1.11)  LDD2214  [45]
 LDCM0108  Chloroacetamide HeLa C316(0.00); C108(0.00); C99(0.00); H173(0.00)  LDD0222  [35]
 LDCM0632  CL-Sc Hep-G2 C108(1.27)  LDD2227  [27]
 LDCM0367  CL1 HCT 116 C380(0.72); C379(0.74); C108(0.79); C367(1.08)  LDD0684  [19]
 LDCM0368  CL10 HCT 116 C108(0.52); C316(0.56); C367(0.71); C99(0.81)  LDD0685  [19]
 LDCM0369  CL100 HCT 116 C367(1.09); C379(1.21); C380(1.32)  LDD0686  [19]
 LDCM0370  CL101 HCT 116 C367(0.98); C316(1.19); C99(1.28); C380(1.50)  LDD0687  [19]
 LDCM0371  CL102 HCT 116 C367(0.85); C99(0.90); C379(1.26); C316(1.39)  LDD0688  [19]
 LDCM0372  CL103 HCT 116 C367(0.87); C99(1.02); C379(1.22); C380(1.38)  LDD0689  [19]
 LDCM0373  CL104 HCT 116 C367(1.03); C99(1.18); C379(1.37); C380(1.44)  LDD0690  [19]
 LDCM0374  CL105 HCT 116 C99(0.77); C367(0.78); C316(0.87); C379(1.11)  LDD0691  [19]
 LDCM0375  CL106 HCT 116 C99(0.53); C367(0.62); C316(0.62); C379(1.17)  LDD0692  [19]
 LDCM0376  CL107 HCT 116 C99(0.53); C316(0.59); C367(0.87); C379(1.02)  LDD0693  [19]
 LDCM0377  CL108 HCT 116 C99(0.34); C367(0.64); C316(0.69); C380(1.13)  LDD0694  [19]
 LDCM0378  CL109 HCT 116 C99(0.64); C316(0.67); C367(0.88); C379(1.41)  LDD0695  [19]
 LDCM0379  CL11 HCT 116 C316(0.15); C108(0.16); C99(0.24); C379(0.54)  LDD0696  [19]
 LDCM0380  CL110 HCT 116 C316(0.63); C99(0.68); C367(0.94); C379(1.29)  LDD0697  [19]
 LDCM0381  CL111 HCT 116 C316(0.73); C99(0.75); C379(0.86); C380(0.86)  LDD0698  [19]
 LDCM0382  CL112 HCT 116 C316(0.94); C367(1.04); C379(1.29); C380(1.39)  LDD0699  [19]
 LDCM0383  CL113 HCT 116 C316(0.84); C367(0.94); C379(1.43); C380(1.52)  LDD0700  [19]
 LDCM0384  CL114 HCT 116 C379(0.85); C367(0.98); C380(1.00); C316(1.02)  LDD0701  [19]
 LDCM0385  CL115 HCT 116 C367(0.87); C316(1.01); C379(1.90); C380(2.01)  LDD0702  [19]
 LDCM0386  CL116 HCT 116 C367(0.88); C316(1.07); C379(1.30); C380(1.39)  LDD0703  [19]
 LDCM0387  CL117 HCT 116 C99(0.05); C316(0.06); C50(0.06); C379(0.37)  LDD0704  [19]
 LDCM0388  CL118 HCT 116 C99(0.60); C379(0.80); C316(0.82); C380(0.84)  LDD0705  [19]
 LDCM0389  CL119 HCT 116 C316(0.80); C380(0.84); C379(0.84); C99(0.91)  LDD0706  [19]
 LDCM0390  CL12 HCT 116 C316(0.12); C108(0.12); C99(0.18); C367(0.46)  LDD0707  [19]
 LDCM0391  CL120 HCT 116 C380(0.91); C379(0.96); C367(1.03); C316(1.16)  LDD0708  [19]
 LDCM0392  CL121 HCT 116 C316(0.94); C108(0.95); C380(1.39); C379(1.64)  LDD0709  [19]
 LDCM0393  CL122 HCT 116 C108(1.08); C316(1.15); C379(1.28); C380(1.38)  LDD0710  [19]
 LDCM0394  CL123 HCT 116 C108(0.40); C316(0.51); C380(0.61); C379(0.65)  LDD0711  [19]
 LDCM0395  CL124 HCT 116 C108(0.20); C316(0.29); C380(0.68); C379(0.71)  LDD0712  [19]
 LDCM0396  CL125 HCT 116 C380(1.40); C379(1.41); C367(1.57); C99(1.64)  LDD0713  [19]
 LDCM0397  CL126 HCT 116 C108(1.26); C379(1.52); C367(1.53); C380(1.57)  LDD0714  [19]
 LDCM0398  CL127 HCT 116 C380(1.38); C379(1.63); C316(1.65); C367(1.69)  LDD0715  [19]
 LDCM0399  CL128 HCT 116 C108(0.82); C379(0.83); C316(0.84); C380(0.90)  LDD0716  [19]
 LDCM0400  CL13 HCT 116 C316(0.66); C379(0.76); C367(0.80); C380(0.85)  LDD0717  [19]
 LDCM0401  CL14 HCT 116 C380(0.74); C379(0.79); C367(0.89); C316(1.20)  LDD0718  [19]
 LDCM0402  CL15 HCT 116 C108(0.17); C316(0.25); C99(0.28); C367(0.74)  LDD0719  [19]
 LDCM0403  CL16 HCT 116 C316(0.68); C108(0.81); C367(0.96); C380(1.01)  LDD0720  [19]
 LDCM0404  CL17 HCT 116 C108(0.82); C316(0.92); C50(1.06); C380(1.13)  LDD0721  [19]
 LDCM0405  CL18 HCT 116 C108(1.35); C380(1.43); C367(1.48); C379(1.49)  LDD0722  [19]
 LDCM0406  CL19 HCT 116 C316(0.83); C367(1.08); C380(1.13); C108(1.15)  LDD0723  [19]
 LDCM0407  CL2 HCT 116 C380(0.82); C379(0.86); C367(0.99); C316(1.03)  LDD0724  [19]
 LDCM0408  CL20 HCT 116 C108(0.59); C316(0.64); C50(0.64); C367(0.80)  LDD0725  [19]
 LDCM0409  CL21 HCT 116 C108(0.23); C316(0.29); C50(0.44); C367(0.48)  LDD0726  [19]
 LDCM0410  CL22 HCT 116 C108(0.02); C316(0.04); C50(0.05); C367(0.39)  LDD0727  [19]
 LDCM0411  CL23 HCT 116 C108(0.66); C316(0.74); C50(0.87); C367(0.87)  LDD0728  [19]
 LDCM0412  CL24 HCT 116 C108(0.14); C316(0.19); C50(0.32); C367(0.45)  LDD0729  [19]
 LDCM0413  CL25 HCT 116 C108(0.28); C50(0.51); C316(0.43); C367(0.55)  LDD0730  [19]
 LDCM0414  CL26 HCT 116 C108(0.95); C50(0.96); C316(0.91); C367(0.81)  LDD0731  [19]
 LDCM0415  CL27 HCT 116 C108(0.97); C50(1.09); C316(1.19); C367(1.15)  LDD0732  [19]
 LDCM0416  CL28 HCT 116 C108(0.49); C50(0.70); C316(0.74); C367(0.85)  LDD0733  [19]
 LDCM0417  CL29 HCT 116 C108(0.52); C50(0.92); C316(0.79); C367(0.73)  LDD0734  [19]
 LDCM0418  CL3 HCT 116 C108(1.00); C99(1.65); C316(0.87); C367(0.97)  LDD0735  [19]
 LDCM0419  CL30 HCT 116 C108(0.76); C50(1.05); C316(0.85); C367(0.94)  LDD0736  [19]
 LDCM0420  CL31 HCT 116 C108(20.00); C99(1.14); C50(1.20); C316(1.20)  LDD0737  [19]
 LDCM0421  CL32 HCT 116 C108(20.00); C99(1.32); C50(1.12); C316(1.10)  LDD0738  [19]
 LDCM0422  CL33 HCT 116 C108(20.00); C99(2.09); C50(1.13); C316(1.22)  LDD0739  [19]
 LDCM0423  CL34 HCT 116 C108(0.81); C99(0.71); C50(0.44); C316(0.58)  LDD0740  [19]
 LDCM0424  CL35 HCT 116 C108(0.36); C99(0.60); C50(0.39); C316(0.53)  LDD0741  [19]
 LDCM0425  CL36 HCT 116 C108(0.76); C99(1.17); C50(0.70); C316(0.92)  LDD0742  [19]
 LDCM0426  CL37 HCT 116 C108(0.22); C99(0.42); C50(0.25); C316(0.38)  LDD0743  [19]
 LDCM0428  CL39 HCT 116 C108(1.59); C99(0.66); C50(0.44); C316(0.53)  LDD0745  [19]
 LDCM0429  CL4 HCT 116 C108(0.89); C99(1.36); C316(0.90); C367(0.92)  LDD0746  [19]
 LDCM0430  CL40 HCT 116 C108(0.66); C99(1.25); C50(1.28); C316(0.92)  LDD0747  [19]
 LDCM0431  CL41 HCT 116 C108(20.00); C99(1.28); C50(0.96); C316(1.20)  LDD0748  [19]
 LDCM0432  CL42 HCT 116 C108(0.04); C99(0.11); C50(0.04); C316(0.07)  LDD0749  [19]
 LDCM0433  CL43 HCT 116 C108(0.17); C99(0.24); C50(0.14); C316(0.19)  LDD0750  [19]
 LDCM0434  CL44 HCT 116 C108(1,075.86); C99(1.05); C50(0.97); C316(1.05)  LDD0751  [19]
 LDCM0435  CL45 HCT 116 C108(0.69); C99(0.88); C50(0.61); C316(0.72)  LDD0752  [19]
 LDCM0436  CL46 HCT 116 C367(1.30); C379(0.63); C380(0.66)  LDD0753  [19]
 LDCM0437  CL47 HCT 116 C367(1.07); C379(1.07); C380(1.08)  LDD0754  [19]
 LDCM0438  CL48 HCT 116 C367(1.47); C379(0.81); C380(0.90)  LDD0755  [19]
 LDCM0439  CL49 HCT 116 C367(1.21); C379(0.70); C380(0.76)  LDD0756  [19]
 LDCM0440  CL5 HCT 116 C108(0.97); C99(1.16); C316(0.98); C367(0.85)  LDD0757  [19]
 LDCM0441  CL50 HCT 116 C367(1.17); C379(0.75); C380(0.76)  LDD0758  [19]
 LDCM0442  CL51 HCT 116 C367(1.08); C379(0.65); C380(0.69)  LDD0759  [19]
 LDCM0443  CL52 HCT 116 C367(1.14); C379(0.81); C380(0.84)  LDD0760  [19]
 LDCM0444  CL53 HCT 116 C367(1.07); C379(0.88); C380(0.77)  LDD0761  [19]
 LDCM0445  CL54 HCT 116 C367(1.07); C379(0.61); C380(0.61)  LDD0762  [19]
 LDCM0446  CL55 HCT 116 C367(1.30); C379(0.73); C380(0.82)  LDD0763  [19]
 LDCM0447  CL56 HCT 116 C367(1.18); C379(1.06); C380(1.10)  LDD0764  [19]
 LDCM0448  CL57 HCT 116 C367(1.39); C379(0.83); C380(0.90)  LDD0765  [19]
 LDCM0449  CL58 HCT 116 C367(1.20); C379(1.18); C380(1.22)  LDD0766  [19]
 LDCM0450  CL59 HCT 116 C367(1.32); C379(0.73); C380(0.76)  LDD0767  [19]
 LDCM0451  CL6 HCT 116 C108(1.01); C99(1.07); C316(0.75); C367(0.94)  LDD0768  [19]
 LDCM0452  CL60 HCT 116 C367(1.30); C379(0.86); C380(0.92)  LDD0769  [19]
 LDCM0453  CL61 HCT 116 C99(1.08); C316(1.09); C367(1.48); C379(0.89)  LDD0770  [19]
 LDCM0454  CL62 HCT 116 C99(0.60); C316(0.99); C367(1.39); C379(0.70)  LDD0771  [19]
 LDCM0455  CL63 HCT 116 C99(0.78); C316(0.77); C367(1.27); C379(0.75)  LDD0772  [19]
 LDCM0456  CL64 HCT 116 C99(1.25); C316(0.72); C367(1.30); C379(0.74)  LDD0773  [19]
 LDCM0457  CL65 HCT 116 C99(1.01); C316(1.00); C367(1.40); C379(0.93)  LDD0774  [19]
 LDCM0458  CL66 HCT 116 C99(1.25); C316(0.33); C367(0.94); C379(0.63)  LDD0775  [19]
 LDCM0459  CL67 HCT 116 C99(0.96); C316(0.73); C367(1.37); C379(0.93)  LDD0776  [19]
 LDCM0460  CL68 HCT 116 C99(0.99); C316(1.38); C367(1.32); C379(1.04)  LDD0777  [19]
 LDCM0461  CL69 HCT 116 C99(1.01); C316(0.73); C367(1.37); C379(0.90)  LDD0778  [19]
 LDCM0462  CL7 HCT 116 C108(0.40); C99(0.53); C316(0.36); C367(0.75)  LDD0779  [19]
 LDCM0463  CL70 HCT 116 C99(0.87); C316(0.97); C367(1.54); C379(0.96)  LDD0780  [19]
 LDCM0464  CL71 HCT 116 C99(0.87); C316(0.76); C367(1.15); C379(0.85)  LDD0781  [19]
 LDCM0465  CL72 HCT 116 C99(0.89); C316(0.96); C367(1.33); C379(0.75)  LDD0782  [19]
 LDCM0466  CL73 HCT 116 C99(0.90); C316(1.04); C367(1.26); C379(0.72)  LDD0783  [19]
 LDCM0467  CL74 HCT 116 C99(0.98); C316(0.85); C367(1.14); C379(0.77)  LDD0784  [19]
 LDCM0469  CL76 HCT 116 C108(0.68); C99(0.90); C50(1.09); C316(0.96)  LDD0786  [19]
 LDCM0470  CL77 HCT 116 C108(0.88); C99(0.54); C50(0.59); C316(0.70)  LDD0787  [19]
 LDCM0471  CL78 HCT 116 C108(1.57); C99(20.00); C50(1.18); C316(0.80)  LDD0788  [19]
 LDCM0472  CL79 HCT 116 C108(0.73); C99(0.54); C50(0.95); C316(0.80)  LDD0789  [19]
 LDCM0473  CL8 HCT 116 C108(0.11); C99(0.14); C316(0.09); C367(0.57)  LDD0790  [19]
 LDCM0474  CL80 HCT 116 C108(1.85); C99(1.20); C50(1.19); C316(1.20)  LDD0791  [19]
 LDCM0475  CL81 HCT 116 C108(1.13); C99(1.64); C50(0.95); C316(0.78)  LDD0792  [19]
 LDCM0476  CL82 HCT 116 C108(0.14); C99(0.15); C50(0.60); C316(0.14)  LDD0793  [19]
 LDCM0477  CL83 HCT 116 C108(0.30); C99(0.27); C50(0.67); C316(0.28)  LDD0794  [19]
 LDCM0478  CL84 HCT 116 C108(0.04); C99(0.05); C50(0.51); C316(0.05)  LDD0795  [19]
 LDCM0479  CL85 HCT 116 C108(1.52); C99(13.04); C50(1.20); C316(3.36)  LDD0796  [19]
 LDCM0480  CL86 HCT 116 C108(20.00); C99(20.00); C50(3.62); C316(1.99)  LDD0797  [19]
 LDCM0481  CL87 HCT 116 C108(20.00); C99(0.57); C50(2.27); C316(0.99)  LDD0798  [19]
 LDCM0482  CL88 HCT 116 C108(0.40); C99(0.44); C50(0.75); C316(0.38)  LDD0799  [19]
 LDCM0483  CL89 HCT 116 C108(0.03); C99(0.04); C50(0.48); C316(0.04)  LDD0800  [19]
 LDCM0484  CL9 HCT 116 C108(0.82); C99(1.06); C316(0.66); C367(0.77)  LDD0801  [19]
 LDCM0485  CL90 HCT 116 C108(0.51); C99(0.74); C50(0.67); C316(0.75)  LDD0802  [19]
 LDCM0486  CL91 HCT 116 C367(0.98); C379(1.22); C380(1.21)  LDD0803  [19]
 LDCM0487  CL92 HCT 116 C367(1.02); C379(1.14); C380(1.21)  LDD0804  [19]
 LDCM0488  CL93 HCT 116 C367(1.06); C379(0.83); C380(0.78)  LDD0805  [19]
 LDCM0489  CL94 HCT 116 C367(1.09); C379(1.09); C380(1.12)  LDD0806  [19]
 LDCM0490  CL95 HCT 116 C367(0.93); C379(0.91); C380(0.91)  LDD0807  [19]
 LDCM0491  CL96 HCT 116 C367(1.01); C379(1.30); C380(1.41)  LDD0808  [19]
 LDCM0492  CL97 HCT 116 C367(1.14); C379(1.18); C380(1.22)  LDD0809  [19]
 LDCM0493  CL98 HCT 116 C367(1.00); C379(1.16); C380(1.24)  LDD0810  [19]
 LDCM0494  CL99 HCT 116 C367(1.00); C379(1.33); C380(1.47)  LDD0811  [19]
 LDCM0495  E2913 HEK-293T C99(0.96); C50(0.80); C316(0.91); C108(0.95)  LDD1698  [46]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C108(0.93)  LDD1702  [8]
 LDCM0031  Epigallocatechin gallate HEK-293T 4.67  LDD0183  [14]
 LDCM0625  F8 Ramos C50(0.60); C99(0.91); C108(0.54); C316(0.90)  LDD2187  [47]
 LDCM0572  Fragment10 Ramos C50(0.52); C99(0.78); C108(0.70); C316(0.64)  LDD2189  [47]
 LDCM0573  Fragment11 Ramos C50(1.25); C99(0.72); C108(1.26); C316(0.06)  LDD2190  [47]
 LDCM0574  Fragment12 Ramos C50(0.42); C99(0.91); C108(0.66); C316(0.61)  LDD2191  [47]
 LDCM0575  Fragment13 Ramos C50(0.82); C99(1.34); C108(1.21); C316(1.06)  LDD2192  [47]
 LDCM0576  Fragment14 Ramos C50(0.32); C99(0.51); C108(0.72); C316(0.71)  LDD2193  [47]
 LDCM0579  Fragment20 Ramos C50(0.38); C99(0.82); C108(0.68); C316(0.51)  LDD2194  [47]
 LDCM0580  Fragment21 Ramos C50(0.75); C99(1.41); C108(1.10); C316(0.93)  LDD2195  [47]
 LDCM0582  Fragment23 Ramos C50(1.24); C99(1.83); C108(1.68); C316(1.16)  LDD2196  [47]
 LDCM0578  Fragment27 Ramos C50(0.82); C99(1.47); C108(1.56); C316(1.02)  LDD2197  [47]
 LDCM0586  Fragment28 Ramos C50(0.82); C99(1.70); C108(0.88); C316(0.77)  LDD2198  [47]
 LDCM0588  Fragment30 Ramos C50(1.04); C99(1.53); C108(1.21); C316(1.14)  LDD2199  [47]
 LDCM0589  Fragment31 Ramos C50(1.07); C99(1.49); C108(1.67); C316(1.24)  LDD2200  [47]
 LDCM0590  Fragment32 Ramos C50(0.40); C99(0.73); C108(0.62); C316(0.58)  LDD2201  [47]
 LDCM0468  Fragment33 HCT 116 C99(0.67); C316(0.76); C367(1.51); C379(1.19)  LDD0785  [19]
 LDCM0596  Fragment38 Ramos C50(0.83); C99(1.35); C108(0.96); C316(1.09)  LDD2203  [47]
 LDCM0566  Fragment4 Ramos C50(0.57); C99(0.87); C108(1.30); C316(0.68)  LDD2184  [47]
 LDCM0427  Fragment51 HCT 116 C108(0.07); C99(0.13); C50(0.07); C316(0.09)  LDD0744  [19]
 LDCM0610  Fragment52 Ramos C50(1.02); C99(1.09); C108(1.17); C316(1.03)  LDD2204  [47]
 LDCM0614  Fragment56 Ramos C50(1.18); C99(1.34); C108(1.26); C316(1.22)  LDD2205  [47]
 LDCM0569  Fragment7 Ramos C50(0.41); C99(0.71); C108(0.47); C316(0.79)  LDD2186  [47]
 LDCM0571  Fragment9 Ramos C50(0.40); C99(0.84); C108(0.65); C316(0.55)  LDD2188  [47]
 LDCM0116  HHS-0101 DM93 Y161(0.86); Y324(0.88); Y76(0.91); Y196(1.17)  LDD0264  [17]
 LDCM0117  HHS-0201 DM93 Y324(0.72); Y76(0.80); Y196(0.81); Y161(0.83)  LDD0265  [17]
 LDCM0118  HHS-0301 DM93 Y161(0.66); Y324(0.71); Y196(1.09); Y76(1.19)  LDD0266  [17]
 LDCM0119  HHS-0401 DM93 Y324(0.83); Y161(0.88); Y76(0.93); Y196(1.29)  LDD0267  [17]
 LDCM0120  HHS-0701 DM93 Y324(0.80); Y76(0.87); Y161(0.97); Y196(1.10)  LDD0268  [17]
 LDCM0107  IAA HeLa C108(0.00); H173(0.00); C316(0.00); C367(0.00)  LDD0221  [35]
 LDCM0123  JWB131 DM93 Y161(1.15); Y196(0.99); Y324(1.08); Y76(0.85)  LDD0285  [16]
 LDCM0124  JWB142 DM93 Y161(0.73); Y196(0.94); Y324(0.44); Y76(0.80)  LDD0286  [16]
 LDCM0125  JWB146 DM93 Y161(1.07); Y196(0.87); Y324(1.00); Y76(0.87)  LDD0287  [16]
 LDCM0126  JWB150 DM93 Y161(6.02); Y196(2.25); Y324(3.67); Y76(3.20)  LDD0288  [16]
 LDCM0127  JWB152 DM93 Y161(3.10); Y196(2.00); Y324(2.32); Y76(2.45)  LDD0289  [16]
 LDCM0128  JWB198 DM93 Y161(1.85); Y196(0.94); Y324(1.61); Y76(1.25)  LDD0290  [16]
 LDCM0129  JWB202 DM93 Y161(1.19); Y196(0.88); Y324(1.25); Y76(0.57)  LDD0291  [16]
 LDCM0130  JWB211 DM93 Y161(1.07); Y196(0.96); Y324(1.23); Y76(1.03)  LDD0292  [16]
 LDCM0179  JZ128 PC-3 C50(0.00); C99(0.00); C316(0.00); C380(0.00)  LDD0462  [13]
 LDCM0022  KB02 HCT 116 C367(5.88); C380(5.88); C379(1.87)  LDD0080  [19]
 LDCM0023  KB03 HCT 116 C367(6.09); C380(6.09); C379(1.61)  LDD0081  [19]
 LDCM0024  KB05 HCT 116 C367(8.82); C380(8.82); C379(1.46)  LDD0082  [19]
 LDCM0509  N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide MDA-MB-231 C50(1.02)  LDD2102  [8]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C316(1.30); C50(1.24)  LDD2121  [8]
 LDCM0109  NEM HeLa H173(0.00); H125(0.00); H63(0.00)  LDD0223  [35]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C99(1.01); C316(1.49); C50(1.47); C108(0.92)  LDD2089  [8]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C50(1.00)  LDD2092  [8]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C99(1.05); C50(1.88)  LDD2093  [8]
 LDCM0503  Nucleophilic fragment 14b MDA-MB-231 C316(0.27); C50(0.29); C367(0.39)  LDD2096  [8]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C99(0.90); C50(0.94)  LDD2097  [8]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C99(1.15); C316(1.23); C50(2.14); C367(2.07)  LDD2099  [8]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C99(0.67); C50(0.47)  LDD2100  [8]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C99(1.01); C50(0.99); C380(1.28)  LDD2101  [8]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C99(0.40); C50(0.57)  LDD2104  [8]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C99(0.44)  LDD2105  [8]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C99(1.00); C316(1.06); C50(1.33); C367(1.42)  LDD2107  [8]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C99(0.93); C50(0.73)  LDD2108  [8]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C99(0.70); C316(0.80); C50(0.91)  LDD2109  [8]
 LDCM0517  Nucleophilic fragment 21b MDA-MB-231 C99(0.65)  LDD2110  [8]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C50(1.50)  LDD2111  [8]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C99(0.83)  LDD2114  [8]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C50(0.48)  LDD2115  [8]
 LDCM0523  Nucleophilic fragment 24b MDA-MB-231 C99(1.48); C316(0.41); C50(0.09); C367(0.94)  LDD2116  [8]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C99(0.39); C316(0.70); C367(1.03)  LDD2118  [8]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C99(2.21); C50(1.62)  LDD2119  [8]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C99(1.01); C316(1.01); C50(0.59)  LDD2120  [8]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C99(0.27); C316(0.49); C50(0.60); C367(0.61)  LDD2122  [8]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C99(1.02); C316(1.15); C50(1.35)  LDD2123  [8]
 LDCM0531  Nucleophilic fragment 28b MDA-MB-231 C99(0.26); C316(0.38); C50(1.10); C367(0.90)  LDD2124  [8]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C99(1.03); C316(0.99); C50(1.56)  LDD2125  [8]
 LDCM0533  Nucleophilic fragment 29b MDA-MB-231 C99(0.37); C316(0.56); C50(0.96)  LDD2126  [8]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C99(1.30); C316(1.05); C50(1.73)  LDD2127  [8]
 LDCM0535  Nucleophilic fragment 30b MDA-MB-231 C99(0.69); C316(0.66); C50(0.62)  LDD2128  [8]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C99(1.43); C316(1.31); C50(2.06)  LDD2129  [8]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C99(0.46); C316(0.60); C50(0.50)  LDD2133  [8]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C99(0.47); C50(0.44)  LDD2134  [8]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C99(1.01); C316(1.53); C50(2.01)  LDD2135  [8]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C99(1.74); C50(2.17)  LDD2136  [8]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C99(1.11); C316(1.16); C50(1.46)  LDD2137  [8]
 LDCM0211  Nucleophilic fragment 3b MDA-MB-231 C50(5.38)  LDD1700  [8]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C99(1.09); C50(1.62)  LDD2140  [8]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C99(0.79)  LDD2141  [8]
 LDCM0549  Nucleophilic fragment 43 MDA-MB-231 C99(0.75); C316(0.88); C50(0.54)  LDD2143  [8]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C99(1.63); C50(2.07)  LDD2144  [8]
 LDCM0551  Nucleophilic fragment 5b MDA-MB-231 C99(1.21)  LDD2145  [8]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C99(0.99); C50(1.44)  LDD2146  [8]
 LDCM0553  Nucleophilic fragment 6b MDA-MB-231 C99(1.26); C50(0.70)  LDD2147  [8]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C99(0.71); C50(0.36)  LDD2148  [8]
 LDCM0555  Nucleophilic fragment 7b MDA-MB-231 C316(0.47); C50(0.92); C367(1.07)  LDD2149  [8]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C99(0.78); C316(1.05); C50(0.74); C108(0.72)  LDD2150  [8]
 LDCM0557  Nucleophilic fragment 8b MDA-MB-231 C316(0.37); C367(0.44)  LDD2151  [8]
 LDCM0628  OTUB2-COV-1 HEK-293T C379(1.03)  LDD2207  [48]
 LDCM0131  RA190 MM1.R C108(1.50); C50(1.30); C316(1.28); C99(1.19)  LDD0304  [49]
 LDCM0021  THZ1 HeLa S3 C99(1.11); C367(1.07); C380(1.06); C50(1.06)  LDD0460  [13]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 3 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) Glyceraldehyde-3-phosphate dehydrogenase family P04406
Histone deacetylase 3 (HDAC3) Histone deacetylase family O15379
Serine/threonine-protein kinase Nek7 (NEK7) NEK Ser/Thr protein kinase family Q8TDX7
Other
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Proliferating cell nuclear antigen (PCNA) PCNA family P12004

The Drug(s) Related To This Target

Approved
Click To Hide/Show 4 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Acyclovir Small molecular drug DB00787
Lamivudine Small molecular drug DB00709
Artenimol . DB11638
Copper . DB09130
Investigative
Click To Hide/Show 2 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
3-phospho-d-glyceric Acid Small molecular drug DB04510
Adenosine-5'-[Beta Gamma-methylene]Triphosphate Small molecular drug DB03909

References

1 Development of Novel Irreversible Pyruvate Kinase M2 Inhibitors. J Med Chem. 2019 Sep 26;62(18):8497-8510. doi: 10.1021/acs.jmedchem.9b00763. Epub 2019 Sep 16.
2 Comparison of Different Competitive Proteome Profiling Approaches in Target Identification of Covalent Inhibitors. Chembiochem. 2022 Dec 16;23(24):e202200389. doi: 10.1002/cbic.202200389. Epub 2022 Nov 22.
3 2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases. J Am Chem Soc. 2023 Feb 12. doi: 10.1021/jacs.2c11595. Online ahead of print.
Mass spectrometry data entry: PXD037665
4 Cyclopropenone, Cyclopropeniminium Ion, and Cyclopropenethione as Novel Electrophilic Warheads for Potential Target Discovery of Triple-Negative Breast Cancer. J Med Chem. 2023 Feb 23;66(4):2851-2864. doi: 10.1021/acs.jmedchem.2c01889. Epub 2023 Feb 10.
5 Low-Toxicity Sulfonium-Based Probes for Cysteine-Specific Profiling in Live Cells. Anal Chem. 2022 Mar 15;94(10):4366-4372. doi: 10.1021/acs.analchem.1c05129. Epub 2022 Mar 4.
6 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.
7 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.
8 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
9 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.
10 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
11 A chemical proteomics approach for global mapping of functional lysines on cell surface of living cell. Nat Commun. 2024 Apr 8;15(1):2997. doi: 10.1038/s41467-024-47033-w.
Mass spectrometry data entry: PXD042888
12 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.
13 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.
14 A chemical probe unravels the reactive proteome of health-associated catechols. Chem Sci. 2023 Jul 22;14(32):8635-8643. doi: 10.1039/d3sc00888f. eCollection 2023 Aug 16.
Mass spectrometry data entry: PXD043348
15 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
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