General Information of Target

Target ID LDTP02552
Target Name Glycogen phosphorylase, brain form (PYGB)
Gene Name PYGB
Gene ID 5834
Synonyms
Glycogen phosphorylase, brain form; EC 2.4.1.1
3D Structure
Download
2D Sequence (FASTA)
Download
3D Structure (PDB)
Download
Sequence
MAKPLTDSEKRKQISVRGLAGLGDVAEVRKSFNRHLHFTLVKDRNVATPRDYFFALAHTV
RDHLVGRWIRTQQHYYERDPKRIYYLSLEFYMGRTLQNTMVNLGLQNACDEAIYQLGLDL
EELEEIEEDAGLGNGGLGRLAACFLDSMATLGLAAYGYGIRYEFGIFNQKIVNGWQVEEA
DDWLRYGNPWEKARPEYMLPVHFYGRVEHTPDGVKWLDTQVVLAMPYDTPVPGYKNNTVN
TMRLWSAKAPNDFKLQDFNVGDYIEAVLDRNLAENISRVLYPNDNFFEGKELRLKQEYFV
VAATLQDIIRRFKSSKFGCRDPVRTCFETFPDKVAIQLNDTHPALSIPELMRILVDVEKV
DWDKAWEITKKTCAYTNHTVLPEALERWPVSMFEKLLPRHLEIIYAINQRHLDHVAALFP
GDVDRLRRMSVIEEGDCKRINMAHLCVIGSHAVNGVARIHSEIVKQSVFKDFYELEPEKF
QNKTNGITPRRWLLLCNPGLADTIVEKIGEEFLTDLSQLKKLLPLVSDEVFIRDVAKVKQ
ENKLKFSAFLEKEYKVKINPSSMFDVHVKRIHEYKRQLLNCLHVVTLYNRIKRDPAKAFV
PRTVMIGGKAAPGYHMAKLIIKLVTSIGDVVNHDPVVGDRLKVIFLENYRVSLAEKVIPA
ADLSQQISTAGTEASGTGNMKFMLNGALTIGTMDGANVEMAEEAGAENLFIFGLRVEDVE
ALDRKGYNAREYYDHLPELKQAVDQISSGFFSPKEPDCFKDIVNMLMHHDRFKVFADYEA
YMQCQAQVDQLYRNPKEWTKKVIRNIACSGKFSSDRTITEYAREIWGVEPSDLQIPPPNI
PRD
Target Bioclass
Enzyme
Family
Glycogen phosphorylase family
Function
Glycogen phosphorylase that regulates glycogen mobilization. Phosphorylase is an important allosteric enzyme in carbohydrate metabolism. Enzymes from different sources differ in their regulatory mechanisms and in their natural substrates. However, all known phosphorylases share catalytic and structural properties.
Uniprot ID
P11216
Ensemble ID
ENST00000216962.9
HGNC ID
HGNC:9723
ChEMBL ID
CHEMBL3856

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 32 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
m-APA
 Probe Info 
11.27  LDD0402  [1]
CY-1
 Probe Info 
100.00  LDD0243  [2]
CY4
 Probe Info 
100.00  LDD0244  [2]
N1
 Probe Info 
100.00  LDD0242  [2]
TH211
 Probe Info 
Y197(10.00); Y263(9.40); Y281(8.87)  LDD0260  [3]
TH216
 Probe Info 
Y197(6.61)  LDD0259  [3]
ONAyne
 Probe Info 
K597(6.67)  LDD0274  [4]
STPyne
 Probe Info 
K12(6.15); K192(7.60); K248(6.59); K316(8.37)  LDD0277  [4]
Probe 1
 Probe Info 
Y197(5.89); Y473(26.82); Y821(12.22)  LDD3495  [5]
AF-2
 Probe Info 
1.99  LDD0422  [6]
BTD
 Probe Info 
C319(1.95)  LDD1700  [7]
DA-P3
 Probe Info 
4.23  LDD0185  [8]
AHL-Pu-1
 Probe Info 
C437(2.05)  LDD0168  [9]
EA-probe
 Probe Info 
C326(1.22); C143(0.98); C496(0.88)  LDD2210  [10]
HHS-482
 Probe Info 
Y186(0.85); Y197(0.88); Y204(0.97); Y227(1.37)  LDD0285  [11]
HHS-475
 Probe Info 
Y197(0.72); Y614(0.83); Y76(0.96); Y298(0.99)  LDD0264  [12]
HHS-465
 Probe Info 
Y186(10.00); Y197(5.25); Y204(10.00); Y234(2.18)  LDD2237  [13]
Acrolein
 Probe Info 
N.A.  LDD0222  [14]
DBIA
 Probe Info 
C437(0.95)  LDD0078  [15]
ATP probe
 Probe Info 
K618(0.00); K622(0.00); K438(0.00); K520(0.00)  LDD0199  [16]
4-Iodoacetamidophenylacetylene
 Probe Info 
C446(0.00); C143(0.00); C437(0.00); C808(0.00)  LDD0038  [17]
IA-alkyne
 Probe Info 
C319(0.00); C446(0.00); C437(0.00); C581(0.00)  LDD0036  [17]
Lodoacetamide azide
 Probe Info 
C319(0.00); C446(0.00); C143(0.00); C437(0.00)  LDD0037  [17]
ATP probe
 Probe Info 
N.A.  LDD0035  [18]
NAIA_4
 Probe Info 
C109(0.00); C326(0.00); C373(0.00); C437(0.00)  LDD2226  [19]
WYneC
 Probe Info 
N.A.  LDD0014  [20]
WYneN
 Probe Info 
C326(0.00); C496(0.00)  LDD0021  [20]
WYneO
 Probe Info 
C808(0.00); C437(0.00); C326(0.00)  LDD0022  [20]
IPM
 Probe Info 
N.A.  LDD0005  [20]
SF
 Probe Info 
N.A.  LDD0028  [21]
Ox-W18
 Probe Info 
N.A.  LDD2175  [22]
NAIA_5
 Probe Info 
C758(0.00); C319(0.00); C446(0.00); C373(0.00)  LDD2223  [19]
PAL-AfBPP Probe
Click To Hide/Show 6 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
C064
 Probe Info 
6.92  LDD1761  [23]
FFF probe13
 Probe Info 
8.07  LDD0475  [24]
FFF probe14
 Probe Info 
12.49  LDD0477  [24]
STS-2
 Probe Info 
N.A.  LDD0138  [25]
VE-P
 Probe Info 
N.A.  LDD0396  [26]
STS-1
 Probe Info 
N.A.  LDD0068  [27]

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 C373(0.75); C319(0.70)  LDD2142  [7]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C373(0.94); C319(0.64)  LDD2112  [7]
 LDCM0502  1-(Cyanoacetyl)piperidine MDA-MB-231 C373(0.57); C319(0.56)  LDD2095  [7]
 LDCM0537  2-Cyano-N,N-dimethylacetamide MDA-MB-231 C373(0.83); C808(0.88); C326(0.69)  LDD2130  [7]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C373(1.61); C319(0.99); C808(0.99); C326(1.14)  LDD2117  [7]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C373(1.40); C319(1.02)  LDD2152  [7]
 LDCM0510  3-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-3-oxopropanenitrile MDA-MB-231 C319(1.13)  LDD2103  [7]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C373(0.50); C319(0.54); C808(0.60); C326(0.47)  LDD2132  [7]
 LDCM0538  4-(Cyanoacetyl)morpholine MDA-MB-231 C319(0.59); C808(0.69); C326(0.45)  LDD2131  [7]
 LDCM0025  4SU-RNA HEK-293T C437(2.05)  LDD0168  [9]
 LDCM0026  4SU-RNA+native RNA HEK-293T C496(3.05); C437(2.49)  LDD0169  [9]
 LDCM0214  AC1 HCT 116 C326(1.32); C319(0.61)  LDD0531  [15]
 LDCM0215  AC10 HCT 116 C326(1.55); C319(1.29); C437(1.07)  LDD0532  [15]
 LDCM0216  AC100 HCT 116 C326(1.20); C437(1.04)  LDD0533  [15]
 LDCM0217  AC101 HCT 116 C326(1.13); C437(0.90)  LDD0534  [15]
 LDCM0218  AC102 HCT 116 C326(1.05); C437(0.96)  LDD0535  [15]
 LDCM0219  AC103 HCT 116 C326(1.31); C437(1.00)  LDD0536  [15]
 LDCM0220  AC104 HCT 116 C326(1.13); C437(0.82)  LDD0537  [15]
 LDCM0221  AC105 HCT 116 C326(1.17); C437(0.90)  LDD0538  [15]
 LDCM0222  AC106 HCT 116 C326(1.49); C437(0.93)  LDD0539  [15]
 LDCM0223  AC107 HCT 116 C326(1.34); C437(0.94)  LDD0540  [15]
 LDCM0224  AC108 HCT 116 C326(1.24); C437(0.95)  LDD0541  [15]
 LDCM0225  AC109 HCT 116 C326(1.00); C437(0.90)  LDD0542  [15]
 LDCM0226  AC11 HCT 116 C326(1.34); C319(2.44); C437(0.95)  LDD0543  [15]
 LDCM0227  AC110 HCT 116 C326(1.10); C437(1.00)  LDD0544  [15]
 LDCM0228  AC111 HCT 116 C326(1.12); C437(0.92)  LDD0545  [15]
 LDCM0229  AC112 HCT 116 C326(1.37); C437(0.90)  LDD0546  [15]
 LDCM0230  AC113 HCT 116 C319(0.96)  LDD0547  [15]
 LDCM0231  AC114 HCT 116 C319(0.92)  LDD0548  [15]
 LDCM0232  AC115 HCT 116 C319(0.83)  LDD0549  [15]
 LDCM0233  AC116 HCT 116 C319(0.67)  LDD0550  [15]
 LDCM0234  AC117 HCT 116 C319(0.54)  LDD0551  [15]
 LDCM0235  AC118 HCT 116 C319(0.57)  LDD0552  [15]
 LDCM0236  AC119 HCT 116 C319(0.48)  LDD0553  [15]
 LDCM0237  AC12 HCT 116 C326(1.10); C319(0.98); C437(0.91)  LDD0554  [15]
 LDCM0238  AC120 HCT 116 C319(1.61)  LDD0555  [15]
 LDCM0239  AC121 HCT 116 C319(0.92)  LDD0556  [15]
 LDCM0240  AC122 HCT 116 C319(0.50)  LDD0557  [15]
 LDCM0241  AC123 HCT 116 C319(0.78)  LDD0558  [15]
 LDCM0242  AC124 HCT 116 C319(0.65)  LDD0559  [15]
 LDCM0243  AC125 HCT 116 C319(0.76)  LDD0560  [15]
 LDCM0244  AC126 HCT 116 C319(0.84)  LDD0561  [15]
 LDCM0245  AC127 HCT 116 C319(0.44)  LDD0562  [15]
 LDCM0246  AC128 HCT 116 C326(1.30); C319(1.10)  LDD0563  [15]
 LDCM0247  AC129 HCT 116 C326(1.10); C319(0.86)  LDD0564  [15]
 LDCM0249  AC130 HCT 116 C326(1.31); C319(0.84)  LDD0566  [15]
 LDCM0250  AC131 HCT 116 C326(0.93); C319(1.28)  LDD0567  [15]
 LDCM0251  AC132 HCT 116 C326(1.11); C319(0.84)  LDD0568  [15]
 LDCM0252  AC133 HCT 116 C326(1.15); C319(0.90)  LDD0569  [15]
 LDCM0253  AC134 HCT 116 C326(1.35); C319(1.79)  LDD0570  [15]
 LDCM0254  AC135 HCT 116 C326(1.30); C319(0.83)  LDD0571  [15]
 LDCM0255  AC136 HCT 116 C326(1.18); C319(1.21)  LDD0572  [15]
 LDCM0256  AC137 HCT 116 C326(1.17); C319(1.25)  LDD0573  [15]
 LDCM0257  AC138 HCT 116 C326(1.59); C319(2.32)  LDD0574  [15]
 LDCM0258  AC139 HCT 116 C326(1.28); C319(1.09)  LDD0575  [15]
 LDCM0259  AC14 HCT 116 C326(0.74); C319(2.22); C437(1.21)  LDD0576  [15]
 LDCM0260  AC140 HCT 116 C326(1.42); C319(1.55)  LDD0577  [15]
 LDCM0261  AC141 HCT 116 C326(1.37); C319(1.69)  LDD0578  [15]
 LDCM0262  AC142 HCT 116 C326(1.07); C319(1.04)  LDD0579  [15]
 LDCM0263  AC143 HCT 116 C326(1.15)  LDD0580  [15]
 LDCM0264  AC144 HCT 116 C326(1.38)  LDD0581  [15]
 LDCM0265  AC145 HCT 116 C326(1.29)  LDD0582  [15]
 LDCM0266  AC146 HCT 116 C326(1.40)  LDD0583  [15]
 LDCM0267  AC147 HCT 116 C326(1.30)  LDD0584  [15]
 LDCM0268  AC148 HCT 116 C326(1.85)  LDD0585  [15]
 LDCM0269  AC149 HCT 116 C326(1.61)  LDD0586  [15]
 LDCM0270  AC15 HCT 116 C326(0.83); C437(1.29); C319(1.43)  LDD0587  [15]
 LDCM0271  AC150 HCT 116 C326(1.10)  LDD0588  [15]
 LDCM0272  AC151 HCT 116 C326(1.07)  LDD0589  [15]
 LDCM0273  AC152 HCT 116 C326(1.31)  LDD0590  [15]
 LDCM0274  AC153 HCT 116 C326(1.82)  LDD0591  [15]
 LDCM0621  AC154 HCT 116 C326(1.11)  LDD2158  [15]
 LDCM0622  AC155 HCT 116 C326(1.23)  LDD2159  [15]
 LDCM0623  AC156 HCT 116 C326(0.97)  LDD2160  [15]
 LDCM0624  AC157 HCT 116 C326(0.96)  LDD2161  [15]
 LDCM0276  AC17 HCT 116 C319(0.61); C437(0.77); C326(1.29)  LDD0593  [15]
 LDCM0277  AC18 HCT 116 C319(0.58); C437(0.74); C326(1.46)  LDD0594  [15]
 LDCM0278  AC19 HCT 116 C319(0.53); C437(0.76); C326(1.21)  LDD0595  [15]
 LDCM0279  AC2 HCT 116 C319(0.61); C326(1.17)  LDD0596  [15]
 LDCM0280  AC20 HCT 116 C319(0.93); C437(0.95); C326(1.31)  LDD0597  [15]
 LDCM0281  AC21 HCT 116 C437(0.68); C319(0.75); C326(1.21)  LDD0598  [15]
 LDCM0282  AC22 HCT 116 C319(0.77); C437(0.85); C326(1.21)  LDD0599  [15]
 LDCM0283  AC23 HCT 116 C319(0.80); C437(0.84); C326(1.33)  LDD0600  [15]
 LDCM0284  AC24 HCT 116 C319(0.82); C437(0.92); C326(1.04)  LDD0601  [15]
 LDCM0285  AC25 HCT 116 C319(0.82); C326(1.10); C437(1.18)  LDD0602  [15]
 LDCM0286  AC26 HCT 116 C319(0.55); C326(1.37); C437(1.46)  LDD0603  [15]
 LDCM0287  AC27 HCT 116 C319(0.77); C326(1.12); C437(1.31)  LDD0604  [15]
 LDCM0288  AC28 HCT 116 C319(0.26); C326(1.20); C437(1.29)  LDD0605  [15]
 LDCM0289  AC29 HCT 116 C326(1.28); C319(1.37); C437(1.51)  LDD0606  [15]
 LDCM0290  AC3 HCT 116 C319(0.49); C326(1.27)  LDD0607  [15]
 LDCM0291  AC30 HCT 116 C319(1.16); C326(1.30); C437(1.54)  LDD0608  [15]
 LDCM0292  AC31 HCT 116 C319(0.68); C326(1.17); C437(1.39)  LDD0609  [15]
 LDCM0293  AC32 HCT 116 C319(0.66); C326(1.52); C437(1.75)  LDD0610  [15]
 LDCM0294  AC33 HCT 116 C319(1.15); C326(1.29); C437(1.51)  LDD0611  [15]
 LDCM0295  AC34 HCT 116 C437(1.47); C326(1.48); C319(2.22)  LDD0612  [15]
 LDCM0296  AC35 HCT 116 C319(0.83); C437(0.91); C808(0.96); C326(1.00)  LDD0613  [15]
 LDCM0297  AC36 HCT 116 C808(0.87); C319(0.96); C437(0.96); C326(1.05)  LDD0614  [15]
 LDCM0298  AC37 HCT 116 C319(0.70); C437(0.96); C808(1.03); C326(1.19)  LDD0615  [15]
 LDCM0299  AC38 HCT 116 C437(0.93); C319(0.94); C808(0.98); C326(1.06)  LDD0616  [15]
 LDCM0300  AC39 HCT 116 C319(1.04); C437(1.04); C326(1.15); C808(1.28)  LDD0617  [15]
 LDCM0301  AC4 HCT 116 C319(0.52); C326(1.29)  LDD0618  [15]
 LDCM0302  AC40 HCT 116 C808(1.05); C437(1.09); C319(1.15); C326(1.29)  LDD0619  [15]
 LDCM0303  AC41 HCT 116 C437(0.98); C808(1.02); C319(1.21); C326(1.25)  LDD0620  [15]
 LDCM0304  AC42 HCT 116 C808(0.91); C437(1.02); C326(1.17); C319(1.48)  LDD0621  [15]
 LDCM0305  AC43 HCT 116 C319(0.91); C437(1.00); C808(1.09); C326(1.15)  LDD0622  [15]
 LDCM0306  AC44 HCT 116 C437(0.99); C808(0.99); C326(1.06); C319(1.35)  LDD0623  [15]
 LDCM0307  AC45 HCT 116 C437(1.07); C319(1.10); C808(1.17); C326(1.50)  LDD0624  [15]
 LDCM0308  AC46 HCT 116 C319(0.80); C808(1.01); C437(1.04); C326(1.11)  LDD0625  [15]
 LDCM0309  AC47 HCT 116 C319(0.80); C808(1.01); C326(1.07); C437(1.14)  LDD0626  [15]
 LDCM0310  AC48 HCT 116 C319(0.90); C326(0.96); C808(1.13); C437(1.25)  LDD0627  [15]
 LDCM0311  AC49 HCT 116 C319(0.84); C808(1.02); C326(1.18); C437(1.40)  LDD0628  [15]
 LDCM0312  AC5 HCT 116 C319(0.53); C326(1.33)  LDD0629  [15]
 LDCM0313  AC50 HCT 116 C808(0.94); C319(1.05); C326(1.06); C437(1.32)  LDD0630  [15]
 LDCM0314  AC51 HCT 116 C808(0.95); C326(1.05); C437(1.06); C319(1.21)  LDD0631  [15]
 LDCM0315  AC52 HCT 116 C319(0.82); C326(1.08); C808(1.19); C437(1.22)  LDD0632  [15]
 LDCM0316  AC53 HCT 116 C326(0.99); C808(1.06); C319(1.20); C437(1.26)  LDD0633  [15]
 LDCM0317  AC54 HCT 116 C319(0.86); C326(0.92); C808(1.12); C437(1.34)  LDD0634  [15]
 LDCM0318  AC55 HCT 116 C808(0.87); C319(0.94); C326(1.16); C437(1.32)  LDD0635  [15]
 LDCM0319  AC56 HCT 116 C808(0.40); C319(1.14); C326(1.18); C437(1.59)  LDD0636  [15]
 LDCM0320  AC57 HCT 116 C319(0.64); C437(1.09); C326(1.12); C808(1.63)  LDD0637  [15]
 LDCM0321  AC58 HCT 116 C326(1.03); C808(1.06); C437(1.06); C319(1.30)  LDD0638  [15]
 LDCM0322  AC59 HCT 116 C319(0.98); C437(0.98); C326(1.05); C808(1.09)  LDD0639  [15]
 LDCM0323  AC6 HCT 116 C437(0.98); C326(1.18); C319(1.50)  LDD0640  [15]
 LDCM0324  AC60 HCT 116 C326(1.08); C437(1.10); C319(1.12); C808(1.58)  LDD0641  [15]
 LDCM0325  AC61 HCT 116 C319(0.69); C326(1.07); C437(1.10); C808(1.22)  LDD0642  [15]
 LDCM0326  AC62 HCT 116 C319(0.82); C326(1.09); C437(1.10); C808(1.23)  LDD0643  [15]
 LDCM0327  AC63 HCT 116 C319(0.84); C437(0.99); C326(1.21); C808(1.62)  LDD0644  [15]
 LDCM0328  AC64 HCT 116 C319(0.85); C326(1.00); C437(1.03); C808(1.16)  LDD0645  [15]
 LDCM0329  AC65 HCT 116 C319(0.84); C326(1.12); C437(1.46); C808(1.53)  LDD0646  [15]
 LDCM0330  AC66 HCT 116 C319(1.13); C437(1.18); C808(1.18); C326(1.20)  LDD0647  [15]
 LDCM0331  AC67 HCT 116 C808(0.50); C319(0.86); C437(1.11); C326(1.16)  LDD0648  [15]
 LDCM0332  AC68 HCT 116 C808(0.89); C326(0.90); C319(1.39)  LDD0649  [15]
 LDCM0333  AC69 HCT 116 C326(0.74); C808(1.02); C319(1.17)  LDD0650  [15]
 LDCM0334  AC7 HCT 116 C437(0.92); C326(1.02); C319(1.41)  LDD0651  [15]
 LDCM0335  AC70 HCT 116 C808(0.83); C319(0.94); C326(1.28)  LDD0652  [15]
 LDCM0336  AC71 HCT 116 C326(0.67); C808(1.19); C319(1.22)  LDD0653  [15]
 LDCM0337  AC72 HCT 116 C808(0.76); C326(0.98); C319(1.07)  LDD0654  [15]
 LDCM0338  AC73 HCT 116 C808(0.56); C319(0.92); C326(1.00)  LDD0655  [15]
 LDCM0339  AC74 HCT 116 C808(0.53); C326(0.76); C319(1.14)  LDD0656  [15]
 LDCM0340  AC75 HCT 116 C808(0.23); C319(0.85); C326(1.30)  LDD0657  [15]
 LDCM0341  AC76 HCT 116 C326(0.71); C319(0.96); C808(1.65)  LDD0658  [15]
 LDCM0342  AC77 HCT 116 C326(0.86); C319(1.39); C808(1.40)  LDD0659  [15]
 LDCM0343  AC78 HCT 116 C326(0.87); C319(1.10); C808(1.11)  LDD0660  [15]
 LDCM0344  AC79 HCT 116 C326(0.84); C808(0.98); C319(1.12)  LDD0661  [15]
 LDCM0345  AC8 HCT 116 C437(0.88); C326(1.00); C319(1.49)  LDD0662  [15]
 LDCM0346  AC80 HCT 116 C326(0.68); C319(0.90); C808(0.92)  LDD0663  [15]
 LDCM0347  AC81 HCT 116 C326(0.76); C808(0.78); C319(1.11)  LDD0664  [15]
 LDCM0348  AC82 HCT 116 C808(0.06); C326(0.68); C319(1.09)  LDD0665  [15]
 LDCM0349  AC83 HCT 116 C319(0.87); C437(1.17); C326(1.20)  LDD0666  [15]
 LDCM0350  AC84 HCT 116 C319(0.88); C437(1.12); C326(1.27)  LDD0667  [15]
 LDCM0351  AC85 HCT 116 C319(0.98); C437(1.08); C326(1.28)  LDD0668  [15]
 LDCM0352  AC86 HCT 116 C319(0.87); C326(1.18); C437(1.34)  LDD0669  [15]
 LDCM0353  AC87 HCT 116 C319(1.14); C326(1.17); C437(1.55)  LDD0670  [15]
 LDCM0354  AC88 HCT 116 C326(1.16); C319(1.19); C437(1.20)  LDD0671  [15]
 LDCM0355  AC89 HCT 116 C319(0.87); C326(1.14); C437(1.42)  LDD0672  [15]
 LDCM0357  AC90 HCT 116 C319(0.96); C326(1.15); C437(1.31)  LDD0674  [15]
 LDCM0358  AC91 HCT 116 C319(0.69); C326(1.23); C437(1.27)  LDD0675  [15]
 LDCM0359  AC92 HCT 116 C319(0.79); C437(1.08); C326(1.31)  LDD0676  [15]
 LDCM0360  AC93 HCT 116 C437(1.07); C319(1.21); C326(1.30)  LDD0677  [15]
 LDCM0361  AC94 HCT 116 C437(0.91); C326(1.17); C319(1.22)  LDD0678  [15]
 LDCM0362  AC95 HCT 116 C319(0.99); C326(1.25); C437(1.26)  LDD0679  [15]
 LDCM0363  AC96 HCT 116 C437(0.93); C326(1.20); C319(1.34)  LDD0680  [15]
 LDCM0364  AC97 HCT 116 C319(1.14); C326(1.38); C437(1.66)  LDD0681  [15]
 LDCM0365  AC98 HCT 116 C437(1.04); C326(1.63)  LDD0682  [15]
 LDCM0366  AC99 HCT 116 C437(1.02); C326(1.30)  LDD0683  [15]
 LDCM0545  Acetamide MDA-MB-231 C319(0.42); C808(0.41); C437(0.55)  LDD2138  [7]
 LDCM0166  Afatinib A431 1.99  LDD0422  [6]
 LDCM0520  AKOS000195272 MDA-MB-231 C373(0.74); C319(0.56); C808(0.81)  LDD2113  [7]
 LDCM0248  AKOS034007472 HCT 116 C326(1.15); C319(1.24); C437(0.93)  LDD0565  [15]
 LDCM0356  AKOS034007680 HCT 116 C437(1.07); C326(1.24); C319(1.35)  LDD0673  [15]
 LDCM0275  AKOS034007705 HCT 116 C326(0.98); C319(1.26); C437(1.52)  LDD0592  [15]
 LDCM0156  Aniline NCI-H1299 N.A.  LDD0404  [1]
 LDCM0020  ARS-1620 HCC44 C437(0.95)  LDD0078  [15]
 LDCM0498  BS-3668 MDA-MB-231 C373(0.70); C319(0.48); C808(0.44); C437(0.98)  LDD2091  [7]
 LDCM0087  Capsaicin HEK-293T 4.23  LDD0185  [8]
 LDCM0630  CCW28-3 231MFP C109(1.39); C326(1.17)  LDD2214  [28]
 LDCM0108  Chloroacetamide HeLa N.A.  LDD0222  [14]
 LDCM0632  CL-Sc Hep-G2 C319(20.00); C437(20.00); C496(1.50); C437(1.16)  LDD2227  [19]
 LDCM0367  CL1 HCT 116 C437(0.88); C319(1.32); C326(1.53)  LDD0684  [15]
 LDCM0368  CL10 HCT 116 C437(0.93); C326(1.07); C319(1.53)  LDD0685  [15]
 LDCM0369  CL100 HCT 116 C319(0.66); C326(1.45)  LDD0686  [15]
 LDCM0370  CL101 HCT 116 C326(0.88); C437(1.06); C319(1.71)  LDD0687  [15]
 LDCM0371  CL102 HCT 116 C437(1.31); C326(1.37); C319(1.86)  LDD0688  [15]
 LDCM0372  CL103 HCT 116 C437(0.75); C326(1.32); C319(2.03)  LDD0689  [15]
 LDCM0373  CL104 HCT 116 C437(0.86); C326(1.13); C319(2.10)  LDD0690  [15]
 LDCM0374  CL105 HCT 116 C319(0.70); C437(0.76); C326(1.25)  LDD0691  [15]
 LDCM0375  CL106 HCT 116 C319(0.58); C437(0.67); C326(1.54)  LDD0692  [15]
 LDCM0376  CL107 HCT 116 C319(0.75); C437(0.85); C326(1.67)  LDD0693  [15]
 LDCM0377  CL108 HCT 116 C319(0.69); C437(0.72); C326(1.34)  LDD0694  [15]
 LDCM0378  CL109 HCT 116 C319(0.69); C437(0.80); C326(1.56)  LDD0695  [15]
 LDCM0379  CL11 HCT 116 C437(1.04); C326(1.67); C319(2.47)  LDD0696  [15]
 LDCM0380  CL110 HCT 116 C437(0.72); C319(0.78); C326(2.02)  LDD0697  [15]
 LDCM0381  CL111 HCT 116 C319(0.75); C437(0.86); C326(1.38)  LDD0698  [15]
 LDCM0382  CL112 HCT 116 C437(1.16); C319(1.21); C326(1.45)  LDD0699  [15]
 LDCM0383  CL113 HCT 116 C326(1.44); C437(1.55); C319(2.46)  LDD0700  [15]
 LDCM0384  CL114 HCT 116 C437(1.35); C326(1.60); C319(3.00)  LDD0701  [15]
 LDCM0385  CL115 HCT 116 C437(1.36); C326(1.47); C319(2.07)  LDD0702  [15]
 LDCM0386  CL116 HCT 116 C319(1.16); C326(1.29); C437(1.45)  LDD0703  [15]
 LDCM0387  CL117 HCT 116 C808(0.80); C319(1.14); C437(1.23); C326(1.68)  LDD0704  [15]
 LDCM0388  CL118 HCT 116 C319(0.72); C437(1.08); C808(1.12); C326(1.22)  LDD0705  [15]
 LDCM0389  CL119 HCT 116 C319(0.61); C437(1.09); C808(1.12); C326(1.27)  LDD0706  [15]
 LDCM0390  CL12 HCT 116 C326(1.02); C437(1.14); C319(1.28)  LDD0707  [15]
 LDCM0391  CL120 HCT 116 C319(0.73); C808(1.06); C437(1.07); C326(1.20)  LDD0708  [15]
 LDCM0392  CL121 HCT 116 C808(0.79); C437(1.16); C326(1.24); C319(1.26)  LDD0709  [15]
 LDCM0393  CL122 HCT 116 C808(0.96); C437(1.08); C319(1.12); C326(1.20)  LDD0710  [15]
 LDCM0394  CL123 HCT 116 C319(0.73); C808(1.01); C437(1.10); C326(1.23)  LDD0711  [15]
 LDCM0395  CL124 HCT 116 C319(0.70); C808(1.02); C326(1.11); C437(1.27)  LDD0712  [15]
 LDCM0396  CL125 HCT 116 C319(0.59); C808(1.03); C326(1.20); C437(1.20)  LDD0713  [15]
 LDCM0397  CL126 HCT 116 C437(1.04); C319(1.21); C326(1.22); C808(1.26)  LDD0714  [15]
 LDCM0398  CL127 HCT 116 C437(1.05); C319(1.12); C326(1.22); C808(1.62)  LDD0715  [15]
 LDCM0399  CL128 HCT 116 C319(0.63); C437(0.99); C326(0.99); C808(1.71)  LDD0716  [15]
 LDCM0400  CL13 HCT 116 C437(1.04); C319(1.17); C326(1.47)  LDD0717  [15]
 LDCM0401  CL14 HCT 116 C437(0.90); C326(1.09); C319(1.77)  LDD0718  [15]
 LDCM0402  CL15 HCT 116 C319(0.76); C437(1.02); C326(3.12)  LDD0719  [15]
 LDCM0403  CL16 HCT 116 C437(1.03); C326(1.25)  LDD0720  [15]
 LDCM0404  CL17 HCT 116 C319(0.55); C437(0.91); C326(4.91)  LDD0721  [15]
 LDCM0405  CL18 HCT 116 C319(0.64); C437(1.03); C326(1.18)  LDD0722  [15]
 LDCM0406  CL19 HCT 116 C319(0.78); C326(0.95); C437(1.16)  LDD0723  [15]
 LDCM0407  CL2 HCT 116 C437(0.92); C326(1.20); C319(1.29)  LDD0724  [15]
 LDCM0408  CL20 HCT 116 C319(0.80); C326(1.09); C437(1.31)  LDD0725  [15]
 LDCM0409  CL21 HCT 116 C319(0.61); C437(1.57); C326(2.22)  LDD0726  [15]
 LDCM0410  CL22 HCT 116 C326(1.20); C437(1.98); C319(2.00)  LDD0727  [15]
 LDCM0411  CL23 HCT 116 C319(0.98); C326(1.10); C437(1.18)  LDD0728  [15]
 LDCM0412  CL24 HCT 116 C319(0.83); C326(1.05); C437(1.45)  LDD0729  [15]
 LDCM0413  CL25 HCT 116 C326(1.15); C319(0.69); C437(1.36)  LDD0730  [15]
 LDCM0414  CL26 HCT 116 C326(1.28); C319(0.78); C437(1.01)  LDD0731  [15]
 LDCM0415  CL27 HCT 116 C326(0.98); C319(0.87); C437(1.21)  LDD0732  [15]
 LDCM0416  CL28 HCT 116 C326(1.17); C319(0.60); C437(1.26)  LDD0733  [15]
 LDCM0417  CL29 HCT 116 C326(1.01); C319(1.42); C437(1.31)  LDD0734  [15]
 LDCM0418  CL3 HCT 116 C326(1.21); C319(1.34); C437(0.90)  LDD0735  [15]
 LDCM0419  CL30 HCT 116 C326(1.03); C319(0.47); C437(1.04)  LDD0736  [15]
 LDCM0420  CL31 HCT 116 C326(1.59); C319(0.63); C437(0.96)  LDD0737  [15]
 LDCM0421  CL32 HCT 116 C326(1.37); C437(1.04)  LDD0738  [15]
 LDCM0422  CL33 HCT 116 C326(11.33); C437(1.04)  LDD0739  [15]
 LDCM0423  CL34 HCT 116 C326(1.72); C437(1.33)  LDD0740  [15]
 LDCM0424  CL35 HCT 116 C326(1.38); C437(1.29)  LDD0741  [15]
 LDCM0425  CL36 HCT 116 C326(1.49); C437(1.22)  LDD0742  [15]
 LDCM0426  CL37 HCT 116 C326(1.67); C437(1.39)  LDD0743  [15]
 LDCM0428  CL39 HCT 116 C326(1.65); C437(1.24)  LDD0745  [15]
 LDCM0429  CL4 HCT 116 C326(10.44); C319(1.94); C437(0.90)  LDD0746  [15]
 LDCM0430  CL40 HCT 116 C326(2.41); C437(1.09)  LDD0747  [15]
 LDCM0431  CL41 HCT 116 C326(1.67); C437(1.14)  LDD0748  [15]
 LDCM0432  CL42 HCT 116 C326(2.01); C437(1.40)  LDD0749  [15]
 LDCM0433  CL43 HCT 116 C326(2.01); C437(1.26)  LDD0750  [15]
 LDCM0434  CL44 HCT 116 C326(1.89); C437(1.22)  LDD0751  [15]
 LDCM0435  CL45 HCT 116 C326(3.42); C437(1.23)  LDD0752  [15]
 LDCM0436  CL46 HCT 116 C326(1.23); C319(0.30); C437(0.81)  LDD0753  [15]
 LDCM0437  CL47 HCT 116 C326(0.98); C319(1.06); C437(0.78)  LDD0754  [15]
 LDCM0438  CL48 HCT 116 C326(1.06); C319(0.47); C437(0.80)  LDD0755  [15]
 LDCM0439  CL49 HCT 116 C326(0.87); C319(0.28); C437(0.87)  LDD0756  [15]
 LDCM0440  CL5 HCT 116 C326(0.94); C319(0.76); C437(0.98)  LDD0757  [15]
 LDCM0441  CL50 HCT 116 C326(1.02); C319(0.51); C437(0.76)  LDD0758  [15]
 LDCM0442  CL51 HCT 116 C326(0.99); C319(0.31); C437(1.02)  LDD0759  [15]
 LDCM0443  CL52 HCT 116 C326(0.99); C319(0.36); C437(0.91)  LDD0760  [15]
 LDCM0444  CL53 HCT 116 C326(1.00); C319(3.34); C437(0.82)  LDD0761  [15]
 LDCM0445  CL54 HCT 116 C326(0.98); C319(0.40); C437(0.85)  LDD0762  [15]
 LDCM0446  CL55 HCT 116 C326(0.87); C319(0.67); C437(0.82)  LDD0763  [15]
 LDCM0447  CL56 HCT 116 C326(1.08); C319(1.32); C437(0.93)  LDD0764  [15]
 LDCM0448  CL57 HCT 116 C326(1.60); C319(1.47); C437(1.02)  LDD0765  [15]
 LDCM0449  CL58 HCT 116 C326(1.16); C319(0.41); C437(0.70)  LDD0766  [15]
 LDCM0450  CL59 HCT 116 C326(0.92); C319(0.66); C437(0.74)  LDD0767  [15]
 LDCM0451  CL6 HCT 116 C326(0.94); C319(0.50); C437(1.04)  LDD0768  [15]
 LDCM0452  CL60 HCT 116 C326(0.97); C319(0.28); C437(0.80)  LDD0769  [15]
 LDCM0453  CL61 HCT 116 C326(1.01); C319(0.61); C437(1.16)  LDD0770  [15]
 LDCM0454  CL62 HCT 116 C326(1.03); C319(0.70); C437(1.15)  LDD0771  [15]
 LDCM0455  CL63 HCT 116 C326(1.47); C319(1.48); C437(1.12)  LDD0772  [15]
 LDCM0456  CL64 HCT 116 C326(1.08); C319(0.64); C437(1.18)  LDD0773  [15]
 LDCM0457  CL65 HCT 116 C326(1.08); C319(1.00); C437(1.11)  LDD0774  [15]
 LDCM0458  CL66 HCT 116 C326(1.03); C319(0.75); C437(1.44)  LDD0775  [15]
 LDCM0459  CL67 HCT 116 C326(0.93); C319(2.05); C437(1.38)  LDD0776  [15]
 LDCM0460  CL68 HCT 116 C326(1.19); C319(8.93); C437(1.40)  LDD0777  [15]
 LDCM0461  CL69 HCT 116 C326(1.28); C319(1.05); C437(1.01)  LDD0778  [15]
 LDCM0462  CL7 HCT 116 C326(1.00); C319(0.44); C437(1.17)  LDD0779  [15]
 LDCM0463  CL70 HCT 116 C326(0.99); C319(1.26); C437(1.20)  LDD0780  [15]
 LDCM0464  CL71 HCT 116 C326(1.16); C319(1.16); C437(1.14)  LDD0781  [15]
 LDCM0465  CL72 HCT 116 C326(1.02); C319(1.74); C437(1.04)  LDD0782  [15]
 LDCM0466  CL73 HCT 116 C326(1.20); C319(1.93); C437(1.23)  LDD0783  [15]
 LDCM0467  CL74 HCT 116 C326(1.13); C319(1.82); C437(1.08)  LDD0784  [15]
 LDCM0469  CL76 HCT 116 C326(1.06); C808(1.15)  LDD0786  [15]
 LDCM0470  CL77 HCT 116 C326(2.97); C808(0.81)  LDD0787  [15]
 LDCM0471  CL78 HCT 116 C326(2.50); C808(1.08)  LDD0788  [15]
 LDCM0472  CL79 HCT 116 C326(1.01); C808(1.09)  LDD0789  [15]
 LDCM0473  CL8 HCT 116 C326(2.85); C319(1.00); C437(1.05)  LDD0790  [15]
 LDCM0474  CL80 HCT 116 C326(0.98); C808(1.04)  LDD0791  [15]
 LDCM0475  CL81 HCT 116 C326(1.02); C808(0.94)  LDD0792  [15]
 LDCM0476  CL82 HCT 116 C326(0.92); C808(1.00)  LDD0793  [15]
 LDCM0477  CL83 HCT 116 C326(1.22); C808(1.07)  LDD0794  [15]
 LDCM0478  CL84 HCT 116 C326(1.19); C808(0.75)  LDD0795  [15]
 LDCM0479  CL85 HCT 116 C326(1.15); C808(0.93)  LDD0796  [15]
 LDCM0480  CL86 HCT 116 C326(1.15); C808(0.87)  LDD0797  [15]
 LDCM0481  CL87 HCT 116 C326(1.00); C808(0.96)  LDD0798  [15]
 LDCM0482  CL88 HCT 116 C326(0.94); C808(0.83)  LDD0799  [15]
 LDCM0483  CL89 HCT 116 C326(0.95); C808(0.56)  LDD0800  [15]
 LDCM0484  CL9 HCT 116 C326(1.10); C319(0.56); C437(1.11)  LDD0801  [15]
 LDCM0485  CL90 HCT 116 C326(14.52); C808(0.79)  LDD0802  [15]
 LDCM0486  CL91 HCT 116 C326(1.14); C319(0.85)  LDD0803  [15]
 LDCM0487  CL92 HCT 116 C326(1.72); C319(0.83)  LDD0804  [15]
 LDCM0488  CL93 HCT 116 C326(1.09); C319(0.43)  LDD0805  [15]
 LDCM0489  CL94 HCT 116 C326(1.66); C319(0.61)  LDD0806  [15]
 LDCM0490  CL95 HCT 116 C326(1.94); C319(0.54)  LDD0807  [15]
 LDCM0491  CL96 HCT 116 C326(1.17); C319(0.69)  LDD0808  [15]
 LDCM0492  CL97 HCT 116 C326(1.18); C319(0.60)  LDD0809  [15]
 LDCM0493  CL98 HCT 116 C326(1.29); C319(0.66)  LDD0810  [15]
 LDCM0494  CL99 HCT 116 C326(1.62); C319(0.72)  LDD0811  [15]
 LDCM0634  CY-0357 Hep-G2 C326(2.10); C437(0.82)  LDD2228  [19]
 LDCM0198  Dimethyl Fumarate(DMF) T cell C326(4.11)  LDD0526  [29]
 LDCM0495  E2913 HEK-293T C319(0.84); C808(1.07); C437(0.92); C446(1.04)  LDD1698  [30]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C326(0.92)  LDD1702  [7]
 LDCM0175  Ethacrynic acid HeLa C326(1.22); C143(0.98); C496(0.88)  LDD2210  [10]
 LDCM0625  F8 Ramos C437(0.99); C319(0.96); C326(0.98)  LDD2187  [31]
 LDCM0572  Fragment10 MDA-MB-231 C326(1.95)  LDD1389  [32]
 LDCM0573  Fragment11 MDA-MB-231 C326(0.76)  LDD1467  [32]
 LDCM0574  Fragment12 MDA-MB-231 C326(3.90)  LDD1468  [32]
 LDCM0575  Fragment13 MDA-MB-231 C326(1.34)  LDD1469  [32]
 LDCM0576  Fragment14 MDA-MB-231 C326(1.13)  LDD1397  [32]
 LDCM0579  Fragment20 MDA-MB-231 C326(1.97)  LDD1402  [32]
 LDCM0580  Fragment21 MDA-MB-231 C326(1.03)  LDD1404  [32]
 LDCM0582  Fragment23 MDA-MB-231 C326(1.02)  LDD1408  [32]
 LDCM0584  Fragment25 MDA-MB-231 C326(0.98)  LDD1411  [32]
 LDCM0578  Fragment27 MDA-MB-231 C326(0.85)  LDD1401  [32]
 LDCM0586  Fragment28 MDA-MB-231 C326(0.98)  LDD1415  [32]
 LDCM0587  Fragment29 MDA-MB-231 C326(1.58)  LDD1417  [32]
 LDCM0588  Fragment30 MDA-MB-231 C326(1.13)  LDD1419  [32]
 LDCM0589  Fragment31 MDA-MB-231 C326(1.18)  LDD1421  [32]
 LDCM0590  Fragment32 MDA-MB-231 C326(3.55)  LDD1423  [32]
 LDCM0468  Fragment33 HCT 116 C326(1.14); C319(1.20); C437(1.20)  LDD0785  [15]
 LDCM0594  Fragment36 MDA-MB-231 C326(1.48)  LDD1431  [32]
 LDCM0596  Fragment38 MDA-MB-231 C326(1.15)  LDD1433  [32]
 LDCM0597  Fragment39 MDA-MB-231 C326(20.00)  LDD1435  [32]
 LDCM0566  Fragment4 MDA-MB-231 C326(1.43)  LDD1378  [32]
 LDCM0598  Fragment40 MDA-MB-231 C326(0.62)  LDD1436  [32]
 LDCM0599  Fragment41 MDA-MB-231 C326(1.21)  LDD1438  [32]
 LDCM0602  Fragment44 MDA-MB-231 C326(0.82)  LDD1443  [32]
 LDCM0603  Fragment45 MDA-MB-231 C326(5.26)  LDD1482  [32]
 LDCM0604  Fragment46 MDA-MB-231 C326(0.83)  LDD1445  [32]
 LDCM0606  Fragment48 MDA-MB-231 C326(1.20)  LDD1447  [32]
 LDCM0427  Fragment51 HCT 116 C326(2.54); C437(1.33)  LDD0744  [15]
 LDCM0610  Fragment52 MDA-MB-231 C326(1.22)  LDD1452  [32]
 LDCM0613  Fragment55 MDA-MB-231 C326(1.13)  LDD1457  [32]
 LDCM0614  Fragment56 MDA-MB-231 C326(1.32)  LDD1458  [32]
 LDCM0569  Fragment7 MDA-MB-231 C326(1.48)  LDD1383  [32]
 LDCM0570  Fragment8 MDA-MB-231 C326(16.59)  LDD1385  [32]
 LDCM0571  Fragment9 MDA-MB-231 C326(1.14)  LDD1387  [32]
 LDCM0116  HHS-0101 DM93 Y197(0.72); Y614(0.83); Y76(0.96); Y298(0.99)  LDD0264  [12]
 LDCM0117  HHS-0201 DM93 Y186(0.80); Y614(0.80); Y298(0.88); Y197(0.90)  LDD0265  [12]
 LDCM0118  HHS-0301 DM93 Y76(0.40); Y614(0.70); Y298(0.72); Y204(0.88)  LDD0266  [12]
 LDCM0119  HHS-0401 DM93 Y76(0.64); Y197(0.65); Y614(0.78); Y298(0.82)  LDD0267  [12]
 LDCM0120  HHS-0701 DM93 Y76(0.32); Y197(0.41); Y614(0.46); Y298(0.55)  LDD0268  [12]
 LDCM0123  JWB131 DM93 Y186(0.85); Y197(0.88); Y204(0.97); Y227(1.37)  LDD0285  [11]
 LDCM0124  JWB142 DM93 Y186(0.68); Y197(0.73); Y204(0.81); Y227(0.77)  LDD0286  [11]
 LDCM0125  JWB146 DM93 Y186(0.83); Y197(1.07); Y204(0.86); Y227(1.33)  LDD0287  [11]
 LDCM0126  JWB150 DM93 Y186(2.85); Y197(2.96); Y204(3.11); Y227(3.59)  LDD0288  [11]
 LDCM0127  JWB152 DM93 Y186(1.98); Y197(1.48); Y204(2.13); Y227(2.18)  LDD0289  [11]
 LDCM0128  JWB198 DM93 Y186(1.15); Y197(1.16); Y204(1.49); Y227(1.46)  LDD0290  [11]
 LDCM0129  JWB202 DM93 Y186(0.54); Y197(0.41); Y204(0.45); Y227(1.16)  LDD0291  [11]
 LDCM0130  JWB211 DM93 Y186(0.85); Y197(0.90); Y204(1.06); Y227(1.43)  LDD0292  [11]
 LDCM0022  KB02 MDA-MB-231 C326(15.32)  LDD1374  [32]
 LDCM0023  KB03 MDA-MB-231 C326(1.75)  LDD1376  [32]
 LDCM0024  KB05 COLO792 C326(2.06)  LDD3310  [33]
 LDCM0509  N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide MDA-MB-231 C373(0.84); C319(0.98)  LDD2102  [7]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C373(0.85); C319(0.61); C808(0.66); C326(0.82)  LDD2121  [7]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C373(0.91); C319(0.62); C808(0.46); C326(0.87)  LDD2089  [7]
 LDCM0497  Nucleophilic fragment 11b MDA-MB-231 C808(1.13)  LDD2090  [7]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C319(0.95)  LDD2092  [7]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C373(1.37); C319(1.29); C808(1.36); C326(0.84)  LDD2093  [7]
 LDCM0501  Nucleophilic fragment 13b MDA-MB-231 C319(1.21)  LDD2094  [7]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C319(0.60); C808(0.94)  LDD2097  [7]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C373(1.02); C319(0.94)  LDD2098  [7]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C373(1.33); C319(0.81); C808(1.00); C326(1.16)  LDD2099  [7]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C373(1.05); C319(1.02); C808(1.08)  LDD2101  [7]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C373(0.66)  LDD2104  [7]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C373(0.97); C319(1.72); C437(1.73)  LDD2105  [7]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C373(1.33); C319(0.92); C808(1.37); C326(1.17)  LDD2107  [7]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C373(0.97); C319(0.86); C437(0.89)  LDD2109  [7]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C373(1.40); C808(0.99); C326(1.26)  LDD2111  [7]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C373(0.60); C319(0.46)  LDD2114  [7]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C373(0.59); C319(0.50)  LDD2115  [7]
 LDCM0523  Nucleophilic fragment 24b MDA-MB-231 C373(0.54); C319(0.59)  LDD2116  [7]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C373(0.52); C319(0.56)  LDD2118  [7]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C373(1.72)  LDD2119  [7]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C373(0.47); C319(0.66); C808(0.85)  LDD2120  [7]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C373(0.53); C319(0.54); C437(0.63)  LDD2122  [7]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C319(0.76); C808(0.78); C326(1.10); C437(0.85)  LDD2123  [7]
 LDCM0531  Nucleophilic fragment 28b MDA-MB-231 C319(0.51); C808(0.06)  LDD2124  [7]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C373(1.29); C319(0.89); C326(0.91); C437(0.75)  LDD2125  [7]
 LDCM0533  Nucleophilic fragment 29b MDA-MB-231 C319(0.64)  LDD2126  [7]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C319(0.92); C808(1.07); C437(1.15)  LDD2127  [7]
 LDCM0535  Nucleophilic fragment 30b MDA-MB-231 C373(0.46); C319(0.57); C808(0.99); C437(0.90)  LDD2128  [7]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C373(1.34); C319(0.95); C808(1.10)  LDD2129  [7]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C808(0.71)  LDD2133  [7]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C373(0.63); C808(0.48)  LDD2134  [7]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C373(1.68); C319(1.15); C326(1.10); C437(0.57)  LDD2135  [7]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C319(1.13); C808(1.24); C326(1.09)  LDD2136  [7]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C319(0.94); C326(0.92); C437(1.58)  LDD2137  [7]
 LDCM0211  Nucleophilic fragment 3b MDA-MB-231 C319(1.95)  LDD1700  [7]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C373(1.23); C319(0.74); C326(0.96); C437(0.76)  LDD2140  [7]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C373(0.72); C319(0.59)  LDD2141  [7]
 LDCM0549  Nucleophilic fragment 43 MDA-MB-231 C373(0.64); C319(0.56); C808(1.01)  LDD2143  [7]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C373(1.48); C319(2.89); C326(1.56)  LDD2144  [7]
 LDCM0551  Nucleophilic fragment 5b MDA-MB-231 C373(0.50)  LDD2145  [7]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C319(0.79); C326(1.09)  LDD2146  [7]
 LDCM0553  Nucleophilic fragment 6b MDA-MB-231 C373(0.91); C319(1.05); C808(3.91)  LDD2147  [7]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C373(0.48); C808(0.42)  LDD2148  [7]
 LDCM0555  Nucleophilic fragment 7b MDA-MB-231 C373(0.41); C319(0.65)  LDD2149  [7]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C373(0.59); C319(0.41); C808(0.36); C326(0.75)  LDD2150  [7]
 LDCM0557  Nucleophilic fragment 8b MDA-MB-231 C373(0.39); C319(0.44)  LDD2151  [7]
 LDCM0131  RA190 MM1.R C326(1.19)  LDD0304  [34]
 LDCM0021  THZ1 HCT 116 C437(1.03)  LDD2173  [15]

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
Glycogen phosphorylase, liver form (PYGL) Glycogen phosphorylase family P06737
Glycogen phosphorylase, muscle form (PYGM) Glycogen phosphorylase family P11217
E3 ubiquitin-protein ligase SIAH1 (SIAH1) SINA (Seven in absentia) family Q8IUQ4
Other
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Protein phosphatase 1 regulatory subunit 3B (PPP1R3B) . Q86XI6

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
Pyridoxal Phosphate Small molecular drug DB00114
Investigative
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Alvocidib Small molecular drug DB03496

References

1 Quantitative and Site-Specific Chemoproteomic Profiling of Targets of Acrolein. Chem Res Toxicol. 2019 Mar 18;32(3):467-473. doi: 10.1021/acs.chemrestox.8b00343. Epub 2019 Jan 15.
2 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.
3 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.
4 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
5 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.
6 Minimalist linkers suitable for irreversible inhibitors in simultaneous proteome profiling, live-cell imaging and drug screening. Chem Commun (Camb). 2019 Jan 15;55(6):834-837. doi: 10.1039/c8cc08685k.
7 Nucleophilic covalent ligand discovery for the cysteine redoxome. Nat Chem Biol. 2023 Nov;19(11):1309-1319. doi: 10.1038/s41589-023-01330-5. Epub 2023 May 29.
Mass spectrometry data entry: PXD039908 , PXD029761
8 A 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
9 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
10 Chemoproteomic Profiling Reveals Ethacrynic Acid Targets Adenine Nucleotide Translocases to Impair Mitochondrial Function. Mol Pharm. 2018 Jun 4;15(6):2413-2422. doi: 10.1021/acs.molpharmaceut.8b00250. Epub 2018 May 15.
11 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.
12 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.
13 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.
14 ACR-Based Probe for the Quantitative Profiling of Histidine Reactivity in the Human Proteome. J Am Chem Soc. 2023 Mar 8;145(9):5252-5260. doi: 10.1021/jacs.2c12653. Epub 2023 Feb 27.
15 Reimagining high-throughput profiling of reactive cysteines for cell-based screening of large electrophile libraries. Nat Biotechnol. 2021 May;39(5):630-641. doi: 10.1038/s41587-020-00778-3. Epub 2021 Jan 4.
16 Targeted Proteomic Approaches for Proteome-Wide Characterizations of the AMP-Binding Capacities of Kinases. J Proteome Res. 2022 Aug 5;21(8):2063-2070. doi: 10.1021/acs.jproteome.2c00225. Epub 2022 Jul 12.
17 Enhancing Cysteine Chemoproteomic Coverage through Systematic Assessment of Click Chemistry Product Fragmentation. Anal Chem. 2022 Mar 8;94(9):3800-3810. doi: 10.1021/acs.analchem.1c04402. Epub 2022 Feb 23.
Mass spectrometry data entry: PXD028853
18 Comparison of Quantitative Mass Spectrometry Platforms for Monitoring Kinase ATP Probe Uptake in Lung Cancer. J Proteome Res. 2018 Jan 5;17(1):63-75. doi: 10.1021/acs.jproteome.7b00329. Epub 2017 Nov 22.
Mass spectrometry data entry: PXD006095 , PXD006096
19 N-Acryloylindole-alkyne (NAIA) enables imaging and profiling new ligandable cysteines and oxidized thiols by chemoproteomics. Nat Commun. 2023 Jun 15;14(1):3564. doi: 10.1038/s41467-023-39268-w.
Mass spectrometry data entry: PXD041264
20 A modification-centric assessment tool for the performance of chemoproteomic probes. Nat Chem Biol. 2022 Aug;18(8):904-912. doi: 10.1038/s41589-022-01074-8. Epub 2022 Jul 21.
Mass spectrometry data entry: PXD027758 , PXD027755 , PXD027760 , PXD027762 , PXD027756 , PXD027591 , PXD007149 , PXD030064 , PXD032392 , PXD027789 , PXD027767 , PXD027764
21 Solid Phase Synthesis of Fluorosulfate Containing Macrocycles for Chemoproteomic Workflows. bioRxiv [Preprint]. 2023 Feb 18:2023.02.17.529022. doi: 10.1101/2023.02.17.529022.
Mass spectrometry data entry: PXD039931
22 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
23 Large-scale chemoproteomics expedites ligand discovery and predicts ligand behavior in cells. Science. 2024 Apr 26;384(6694):eadk5864. doi: 10.1126/science.adk5864. Epub 2024 Apr 26.
Mass spectrometry data entry: PXD041587
24 Ligand and Target Discovery by Fragment-Based Screening in Human Cells. Cell. 2017 Jan 26;168(3):527-541.e29. doi: 10.1016/j.cell.2016.12.029. Epub 2017 Jan 19.
25 Design and synthesis of minimalist terminal alkyne-containing diazirine photo-crosslinkers and their incorporation into kinase inhibitors for cell- and tissue-based proteome profiling. Angew Chem Int Ed Engl. 2013 Aug 12;52(33):8551-6. doi: 10.1002/anie.201300683. Epub 2013 Jun 10.
26 Pharmacological Targeting of Vacuolar H(+)-ATPase via Subunit V1G Combats Multidrug-Resistant Cancer. Cell Chem Biol. 2020 Nov 19;27(11):1359-1370.e8. doi: 10.1016/j.chembiol.2020.06.011. Epub 2020 Jul 9.
27 Proteome profiling reveals potential cellular targets of staurosporine using a clickable cell-permeable probe. Chem Commun (Camb). 2011 Oct 28;47(40):11306-8. doi: 10.1039/c1cc14824a. Epub 2011 Sep 16.
28 Covalent Ligand Screening Uncovers a RNF4 E3 Ligase Recruiter for Targeted Protein Degradation Applications. ACS Chem Biol. 2019 Nov 15;14(11):2430-2440. doi: 10.1021/acschembio.8b01083. Epub 2019 May 13.
29 An Activity-Guided Map of Electrophile-Cysteine Interactions in Primary Human T Cells. Cell. 2020 Aug 20;182(4):1009-1026.e29. doi: 10.1016/j.cell.2020.07.001. Epub 2020 Jul 29.
30 Accelerating multiplexed profiling of protein-ligand interactions: High-throughput plate-based reactive cysteine profiling with minimal input. Cell Chem Biol. 2024 Mar 21;31(3):565-576.e4. doi: 10.1016/j.chembiol.2023.11.015. Epub 2023 Dec 19.
Mass spectrometry data entry: PXD044402
31 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
32 Proteome-wide covalent ligand discovery in native biological systems. Nature. 2016 Jun 23;534(7608):570-4. doi: 10.1038/nature18002. Epub 2016 Jun 15.
33 DrugMap: A quantitative pan-cancer analysis of cysteine ligandability. Cell. 2024 May 9;187(10):2536-2556.e30. doi: 10.1016/j.cell.2024.03.027. Epub 2024 Apr 22.
Mass spectrometry data entry: PXD047840
34 Physical and Functional Analysis of the Putative Rpn13 Inhibitor RA190. Cell Chem Biol. 2020 Nov 19;27(11):1371-1382.e6. doi: 10.1016/j.chembiol.2020.08.007. Epub 2020 Aug 27.