Details of the Target

General Information of Target

Target ID LDTP02074
Target Name Aldehyde dehydrogenase, mitochondrial (ALDH2)
Gene Name ALDH2
Gene ID 217
Synonyms
ALDM; Aldehyde dehydrogenase, mitochondrial; EC 1.2.1.3; ALDH class 2; ALDH-E2; ALDHI
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MLRAAARFGPRLGRRLLSAAATQAVPAPNQQPEVFCNQIFINNEWHDAVSRKTFPTVNPS
TGEVICQVAEGDKEDVDKAVKAARAAFQLGSPWRRMDASHRGRLLNRLADLIERDRTYLA
ALETLDNGKPYVISYLVDLDMVLKCLRYYAGWADKYHGKTIPIDGDFFSYTRHEPVGVCG
QIIPWNFPLLMQAWKLGPALATGNVVVMKVAEQTPLTALYVANLIKEAGFPPGVVNIVPG
FGPTAGAAIASHEDVDKVAFTGSTEIGRVIQVAAGSSNLKRVTLELGGKSPNIIMSDADM
DWAVEQAHFALFFNQGQCCCAGSRTFVQEDIYDEFVERSVARAKSRVVGNPFDSKTEQGP
QVDETQFKKILGYINTGKQEGAKLLCGGGIAADRGYFIQPTVFGDVQDGMTIAKEEIFGP
VMQILKFKTIEEVVGRANNSTYGLAAAVFTKDLDKANYLSQALQAGTVWVNCYDVFGAQS
PFGGYKMSGSGRELGEYGLQAYTEVKTVTVKVPQKNS
Target Type
Clinical trial
Target Bioclass
Enzyme
Family
Aldehyde dehydrogenase family
Subcellular location
Mitochondrion matrix
Function Required for clearance of cellular formaldehyde, a cytotoxic and carcinogenic metabolite that induces DNA damage.
TTD ID
T44282
Uniprot ID
P05091
DrugMap ID
TTFLN4T
Ensemble ID
ENST00000261733.7
HGNC ID
HGNC:404
ChEMBL ID
CHEMBL1935

Target Site Mutations in Different Cell Lines

Cell line Mutation details Probe for labeling this protein in this cell
HCT15 SNV: p.S488L DBIA    Probe Info 
HS936T SNV: p.P215L .
MCC13 SNV: p.G288E DBIA    Probe Info 
NCIH1155 SNV: p.A310T DBIA    Probe Info 
YSCCC SNV: p.R15C .

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 30 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
Alkylaryl probe 1
 Probe Info  		8.00  LDD0385  [1]
Alkylaryl probe 2
 Probe Info  		11.00  LDD0389  [1]
CHEMBL5175495
 Probe Info  		11.69  LDD0196  [2]
CY-1
 Probe Info  		100.00  LDD0243  [3]
N1
 Probe Info  		100.00  LDD0242  [3]
W1
 Probe Info  		16.14  LDD0235  [4]
FBP2
 Probe Info  		2.70  LDD0317  [5]
TH216
 Probe Info  		Y170(20.00); Y373(20.00); Y497(20.00); Y442(5.64)  LDD0259  [6]
YN-1
 Probe Info  		100.00  LDD0444  [7]
YN-4
 Probe Info  		100.00  LDD0445  [7]
AZ-9
 Probe Info  		E285(1.00)  LDD2208  [8]
IPM
 Probe Info  		C386(0.00); C66(0.00); C179(0.00)  LDD0241  [4]
P11
 Probe Info  		8.20  LDD0201  [9]
Alkylaryl probe 3
 Probe Info  		11.81  LDD0282  [10]
DBIA
 Probe Info  		C472(1.22); C179(1.30); C386(1.88)  LDD3311  [11]
BTD
 Probe Info  		C386(1.06)  LDD2093  [12]
Sulforaphane-probe2
 Probe Info  		3.62  LDD0160  [13]
ATP probe
 Probe Info  		K369(0.00); K383(0.00); K368(0.00); K378(0.00)  LDD0199  [14]
IA-alkyne
 Probe Info  		N.A.  LDD0032  [15]
NAIA_4
 Probe Info  		N.A.  LDD2226  [16]
WYneN
 Probe Info  		N.A.  LDD0021  [17]
NHS
 Probe Info  		K355(0.00); K368(0.00); K378(0.00)  LDD0010  [17]
1c-yne
 Probe Info  		N.A.  LDD0228  [18]
Acrolein
 Probe Info  		C66(0.00); C386(0.00)  LDD0217  [19]
Crotonaldehyde
 Probe Info  		N.A.  LDD0219  [19]
Methacrolein
 Probe Info  		N.A.  LDD0218  [19]
TER-AC
 Probe Info  		N.A.  LDD0426  [20]
TPP-AC
 Probe Info  		N.A.  LDD0427  [20]
HHS-465
 Probe Info  		N.A.  LDD2240  [21]
HHS-482
 Probe Info  		Y442(0.78); Y497(0.62)  LDD2239  [22]
PAL-AfBPP Probe
Click To Hide/Show 11 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
C004
 Probe Info  		5.62  LDD1714  [23]
C027
 Probe Info  		5.82  LDD1733  [23]
C140
 Probe Info  		9.85  LDD1822  [23]
C221
 Probe Info  		13.27  LDD1895  [23]
C363
 Probe Info  		16.22  LDD2024  [23]
C378
 Probe Info  		6.54  LDD2037  [23]
C420
 Probe Info  		19.84  LDD2075  [23]
FFF probe3
 Probe Info  		5.04  LDD0465  [24]
STS-2
 Probe Info  		N.A.  LDD0138  [25]
OEA-DA
 Probe Info  		5.41  LDD0046  [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
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C386(0.87)  LDD2112  [12]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C386(1.19)  LDD2152  [12]
 LDCM0214  AC1 PaTu 8988t C472(0.41)  LDD1093  [28]
 LDCM0215  AC10 HEK-293T C386(0.97); C66(1.03); C179(1.04); C472(1.08)  LDD1508  [29]
 LDCM0216  AC100 HEK-293T C386(1.06)  LDD0814  [28]
 LDCM0217  AC101 HEK-293T C386(1.00)  LDD0815  [28]
 LDCM0218  AC102 HEK-293T C386(1.08)  LDD0816  [28]
 LDCM0219  AC103 HEK-293T C386(0.93)  LDD0817  [28]
 LDCM0220  AC104 HEK-293T C386(1.08)  LDD0818  [28]
 LDCM0221  AC105 HEK-293T C386(0.82)  LDD0819  [28]
 LDCM0222  AC106 HEK-293T C386(0.76)  LDD0820  [28]
 LDCM0223  AC107 HEK-293T C386(0.88)  LDD0821  [28]
 LDCM0224  AC108 HEK-293T C386(0.93)  LDD0822  [28]
 LDCM0225  AC109 HEK-293T C386(1.04)  LDD0823  [28]
 LDCM0226  AC11 HEK-293T C386(0.97); C66(1.00); C179(0.98); C319(1.00)  LDD1509  [29]
 LDCM0227  AC110 HEK-293T C386(1.18)  LDD0825  [28]
 LDCM0228  AC111 HEK-293T C386(1.34)  LDD0826  [28]
 LDCM0229  AC112 HEK-293T C386(1.22)  LDD0827  [28]
 LDCM0237  AC12 HEK-293T C386(0.96); C66(1.14); C179(1.08); C472(0.98)  LDD1510  [29]
 LDCM0259  AC14 HEK-293T C386(1.06); C66(1.10); C179(1.03); C472(0.99)  LDD1512  [29]
 LDCM0263  AC143 HEK-293T C386(0.85)  LDD0861  [28]
 LDCM0264  AC144 HEK-293T C386(0.94)  LDD0862  [28]
 LDCM0265  AC145 HEK-293T C386(1.00)  LDD0863  [28]
 LDCM0266  AC146 HEK-293T C386(0.98)  LDD0864  [28]
 LDCM0267  AC147 HEK-293T C386(1.01)  LDD0865  [28]
 LDCM0268  AC148 HEK-293T C386(0.95)  LDD0866  [28]
 LDCM0269  AC149 HEK-293T C386(0.85)  LDD0867  [28]
 LDCM0270  AC15 HEK-293T C386(1.00); C66(1.13); C179(1.00); C472(0.94)  LDD1513  [29]
 LDCM0271  AC150 HEK-293T C386(0.86)  LDD0869  [28]
 LDCM0272  AC151 HEK-293T C386(1.11)  LDD0870  [28]
 LDCM0273  AC152 HEK-293T C386(0.85)  LDD0871  [28]
 LDCM0274  AC153 HEK-293T C386(1.14)  LDD0872  [28]
 LDCM0621  AC154 HEK-293T C386(0.92)  LDD2162  [28]
 LDCM0622  AC155 HEK-293T C386(0.94)  LDD2163  [28]
 LDCM0623  AC156 HEK-293T C386(0.87)  LDD2164  [28]
 LDCM0624  AC157 HEK-293T C386(1.19)  LDD2165  [28]
 LDCM0276  AC17 HEK-293T C386(1.00); C66(1.01); C179(0.99); C472(0.98)  LDD1515  [29]
 LDCM0277  AC18 HEK-293T C386(1.10); C66(1.02); C179(1.10); C472(0.97)  LDD1516  [29]
 LDCM0278  AC19 HEK-293T C386(0.95); C66(0.99); C179(0.85); C319(0.97)  LDD1517  [29]
 LDCM0279  AC2 PaTu 8988t C472(0.60)  LDD1158  [28]
 LDCM0280  AC20 HEK-293T C386(1.03); C66(1.09); C179(1.05); C472(0.94)  LDD1519  [29]
 LDCM0281  AC21 HEK-293T C386(1.13); C66(1.06); C179(1.02); C472(1.16)  LDD1520  [29]
 LDCM0282  AC22 HEK-293T C386(1.01); C66(1.15); C179(1.04); C472(1.00)  LDD1521  [29]
 LDCM0283  AC23 HEK-293T C386(1.10); C66(1.03); C179(0.95); C472(0.97)  LDD1522  [29]
 LDCM0284  AC24 HEK-293T C386(0.90); C66(1.05); C179(0.98); C472(0.98)  LDD1523  [29]
 LDCM0285  AC25 PaTu 8988t C472(0.77)  LDD1164  [28]
 LDCM0286  AC26 PaTu 8988t C472(0.89)  LDD1165  [28]
 LDCM0287  AC27 PaTu 8988t C472(0.95)  LDD1166  [28]
 LDCM0288  AC28 PaTu 8988t C472(1.08)  LDD1167  [28]
 LDCM0289  AC29 PaTu 8988t C472(0.93)  LDD1168  [28]
 LDCM0290  AC3 PaTu 8988t C472(0.83)  LDD1169  [28]
 LDCM0291  AC30 PaTu 8988t C472(0.71)  LDD1170  [28]
 LDCM0292  AC31 PaTu 8988t C472(0.98)  LDD1171  [28]
 LDCM0293  AC32 PaTu 8988t C472(0.90)  LDD1172  [28]
 LDCM0294  AC33 PaTu 8988t C472(0.50)  LDD1173  [28]
 LDCM0295  AC34 PaTu 8988t C472(0.76)  LDD1174  [28]
 LDCM0296  AC35 PaTu 8988t C472(1.17)  LDD1175  [28]
 LDCM0297  AC36 PaTu 8988t C472(1.08)  LDD1176  [28]
 LDCM0298  AC37 PaTu 8988t C472(1.00)  LDD1177  [28]
 LDCM0299  AC38 PaTu 8988t C472(1.15)  LDD1178  [28]
 LDCM0300  AC39 PaTu 8988t C472(1.15)  LDD1179  [28]
 LDCM0301  AC4 PaTu 8988t C472(0.94)  LDD1180  [28]
 LDCM0302  AC40 PaTu 8988t C472(1.00)  LDD1181  [28]
 LDCM0303  AC41 PaTu 8988t C472(1.09)  LDD1182  [28]
 LDCM0304  AC42 PaTu 8988t C472(1.18)  LDD1183  [28]
 LDCM0305  AC43 PaTu 8988t C472(1.17)  LDD1184  [28]
 LDCM0306  AC44 PaTu 8988t C472(0.59)  LDD1185  [28]
 LDCM0307  AC45 PaTu 8988t C472(1.14)  LDD1186  [28]
 LDCM0308  AC46 PaTu 8988t C472(1.00)  LDD1187  [28]
 LDCM0309  AC47 PaTu 8988t C472(1.19)  LDD1188  [28]
 LDCM0310  AC48 PaTu 8988t C472(1.08)  LDD1189  [28]
 LDCM0311  AC49 PaTu 8988t C472(0.59)  LDD1190  [28]
 LDCM0312  AC5 PaTu 8988t C472(0.90)  LDD1191  [28]
 LDCM0313  AC50 PaTu 8988t C472(0.51)  LDD1192  [28]
 LDCM0314  AC51 PaTu 8988t C472(0.66)  LDD1193  [28]
 LDCM0315  AC52 PaTu 8988t C472(1.10)  LDD1194  [28]
 LDCM0316  AC53 PaTu 8988t C472(0.55)  LDD1195  [28]
 LDCM0317  AC54 PaTu 8988t C472(0.42)  LDD1196  [28]
 LDCM0318  AC55 PaTu 8988t C472(1.39)  LDD1197  [28]
 LDCM0319  AC56 PaTu 8988t C472(1.25)  LDD1198  [28]
 LDCM0320  AC57 HEK-293T C386(0.95)  LDD0918  [28]
 LDCM0321  AC58 HEK-293T C386(1.15)  LDD0919  [28]
 LDCM0322  AC59 HEK-293T C386(1.05)  LDD0920  [28]
 LDCM0323  AC6 HEK-293T C386(1.01); C66(1.17); C179(0.96); C472(0.97)  LDD1562  [29]
 LDCM0324  AC60 HEK-293T C386(1.47)  LDD0922  [28]
 LDCM0325  AC61 HEK-293T C386(1.07)  LDD0923  [28]
 LDCM0326  AC62 HEK-293T C386(0.96)  LDD0924  [28]
 LDCM0327  AC63 HEK-293T C386(1.07)  LDD0925  [28]
 LDCM0328  AC64 HEK-293T C386(1.04)  LDD0926  [28]
 LDCM0329  AC65 HEK-293T C386(1.37)  LDD0927  [28]
 LDCM0330  AC66 HEK-293T C386(1.11)  LDD0928  [28]
 LDCM0331  AC67 HEK-293T C386(1.24)  LDD0929  [28]
 LDCM0332  AC68 HEK-293T C386(1.03)  LDD0930  [28]
 LDCM0333  AC69 HEK-293T C386(0.98)  LDD0931  [28]
 LDCM0334  AC7 HEK-293T C386(1.00); C66(1.07); C179(0.91); C472(0.94)  LDD1568  [29]
 LDCM0335  AC70 HEK-293T C386(1.05)  LDD0933  [28]
 LDCM0336  AC71 HEK-293T C386(1.23)  LDD0934  [28]
 LDCM0337  AC72 HEK-293T C386(1.12)  LDD0935  [28]
 LDCM0338  AC73 HEK-293T C386(1.17)  LDD0936  [28]
 LDCM0339  AC74 HEK-293T C386(1.22)  LDD0937  [28]
 LDCM0340  AC75 HEK-293T C386(1.23)  LDD0938  [28]
 LDCM0341  AC76 HEK-293T C386(0.92)  LDD0939  [28]
 LDCM0342  AC77 HEK-293T C386(1.05)  LDD0940  [28]
 LDCM0343  AC78 HEK-293T C386(0.94)  LDD0941  [28]
 LDCM0344  AC79 HEK-293T C386(0.95)  LDD0942  [28]
 LDCM0345  AC8 HEK-293T C386(0.98); C66(1.12); C179(0.95); C472(1.53)  LDD1569  [29]
 LDCM0346  AC80 HEK-293T C386(1.30)  LDD0944  [28]
 LDCM0347  AC81 HEK-293T C386(1.20)  LDD0945  [28]
 LDCM0348  AC82 HEK-293T C386(1.43)  LDD0946  [28]
 LDCM0349  AC83 HEK-293T C386(0.98)  LDD0947  [28]
 LDCM0350  AC84 HEK-293T C386(1.18)  LDD0948  [28]
 LDCM0351  AC85 HEK-293T C386(0.96)  LDD0949  [28]
 LDCM0352  AC86 HEK-293T C386(1.00)  LDD0950  [28]
 LDCM0353  AC87 HEK-293T C386(1.09)  LDD0951  [28]
 LDCM0354  AC88 HEK-293T C386(1.18)  LDD0952  [28]
 LDCM0355  AC89 HEK-293T C386(1.41)  LDD0953  [28]
 LDCM0357  AC90 HEK-293T C386(1.18)  LDD0955  [28]
 LDCM0358  AC91 HEK-293T C386(0.96)  LDD0956  [28]
 LDCM0359  AC92 HEK-293T C386(0.90)  LDD0957  [28]
 LDCM0360  AC93 HEK-293T C386(1.12)  LDD0958  [28]
 LDCM0361  AC94 HEK-293T C386(1.09)  LDD0959  [28]
 LDCM0362  AC95 HEK-293T C386(1.16)  LDD0960  [28]
 LDCM0363  AC96 HEK-293T C386(1.16)  LDD0961  [28]
 LDCM0364  AC97 HEK-293T C386(1.55)  LDD0962  [28]
 LDCM0365  AC98 HEK-293T C386(0.96)  LDD0963  [28]
 LDCM0366  AC99 HEK-293T C386(0.78)  LDD0964  [28]
 LDCM0248  AKOS034007472 HEK-293T C386(0.99); C66(1.01); C179(1.00); C472(1.12)  LDD1511  [29]
 LDCM0356  AKOS034007680 HEK-293T C386(0.90); C66(1.03); C179(0.98); C472(1.10)  LDD1570  [29]
 LDCM0275  AKOS034007705 HEK-293T C386(0.98); C66(1.07); C179(1.06); C472(1.14)  LDD1514  [29]
 LDCM0020  ARS-1620 HCC44 C386(1.32)  LDD2171  [28]
 LDCM0088  C45 HEK-293T 8.20  LDD0201  [9]
 LDCM0108  Chloroacetamide HeLa C66(0.00); C386(0.00)  LDD0222  [19]
 LDCM0367  CL1 HEK-293T C386(0.96); C66(1.15); C179(1.05); C472(1.16)  LDD1571  [29]
 LDCM0368  CL10 HEK-293T C386(1.00); C66(0.98); C179(0.96); C472(1.96)  LDD1572  [29]
 LDCM0369  CL100 PaTu 8988t C472(0.91)  LDD1248  [28]
 LDCM0370  CL101 HEK-293T C386(0.98); C66(1.05); C179(1.03); C472(1.09)  LDD1574  [29]
 LDCM0371  CL102 HEK-293T C386(1.04); C66(0.96); C179(0.87); C319(1.60)  LDD1575  [29]
 LDCM0372  CL103 HEK-293T C386(1.03); C66(1.08); C179(0.98); C472(1.10)  LDD1576  [29]
 LDCM0373  CL104 HEK-293T C386(0.96); C66(1.04); C179(0.99); C472(0.91)  LDD1577  [29]
 LDCM0374  CL105 HEK-293T C386(1.02); C66(1.12); C179(0.16); C472(1.16)  LDD1578  [29]
 LDCM0375  CL106 HEK-293T C386(1.02); C66(1.01); C179(0.90); C319(1.14)  LDD1579  [29]
 LDCM0376  CL107 HEK-293T C386(1.04); C66(1.08); C179(1.07); C472(0.98)  LDD1580  [29]
 LDCM0377  CL108 HEK-293T C386(0.97); C66(1.02); C179(0.97); C472(1.02)  LDD1581  [29]
 LDCM0378  CL109 HEK-293T C386(1.08); C66(1.13); C179(0.93); C472(1.20)  LDD1582  [29]
 LDCM0379  CL11 HEK-293T C386(1.04); C66(1.07); C179(0.97); C472(1.09)  LDD1583  [29]
 LDCM0380  CL110 HEK-293T C386(1.08); C66(0.93); C179(0.85); C319(1.32)  LDD1584  [29]
 LDCM0381  CL111 HEK-293T C386(0.97); C66(1.01); C179(1.00); C472(0.94)  LDD1585  [29]
 LDCM0382  CL112 PaTu 8988t C472(0.76)  LDD1261  [28]
 LDCM0383  CL113 PaTu 8988t C472(0.88)  LDD1262  [28]
 LDCM0384  CL114 PaTu 8988t C472(0.94)  LDD1263  [28]
 LDCM0385  CL115 PaTu 8988t C472(0.72)  LDD1264  [28]
 LDCM0386  CL116 PaTu 8988t C472(0.97)  LDD1265  [28]
 LDCM0387  CL117 PaTu 8988t C472(1.36)  LDD1266  [28]
 LDCM0388  CL118 PaTu 8988t C472(1.15)  LDD1267  [28]
 LDCM0389  CL119 PaTu 8988t C472(1.19)  LDD1268  [28]
 LDCM0390  CL12 HEK-293T C386(0.88); C66(1.13); C179(0.90); C472(1.24)  LDD1594  [29]
 LDCM0391  CL120 PaTu 8988t C472(1.05)  LDD1270  [28]
 LDCM0392  CL121 PaTu 8988t C472(1.40)  LDD1271  [28]
 LDCM0393  CL122 PaTu 8988t C472(1.26)  LDD1272  [28]
 LDCM0394  CL123 PaTu 8988t C472(1.96)  LDD1273  [28]
 LDCM0395  CL124 PaTu 8988t C472(1.64)  LDD1274  [28]
 LDCM0396  CL125 HEK-293T C386(1.02)  LDD0994  [28]
 LDCM0397  CL126 HEK-293T C386(1.10)  LDD0995  [28]
 LDCM0398  CL127 HEK-293T C386(1.09)  LDD0996  [28]
 LDCM0399  CL128 HEK-293T C386(1.00)  LDD0997  [28]
 LDCM0400  CL13 HEK-293T C386(0.95); C66(1.04); C179(1.00); C472(1.34)  LDD1604  [29]
 LDCM0401  CL14 HEK-293T C386(0.98); C66(1.03); C179(0.80); C319(1.55)  LDD1605  [29]
 LDCM0402  CL15 HEK-293T C386(0.91); C66(0.99); C179(1.03); C472(1.04)  LDD1606  [29]
 LDCM0403  CL16 HEK-293T C386(0.93); C66(1.06); C179(0.94); C472(1.24)  LDD1607  [29]
 LDCM0404  CL17 HEK-293T C386(0.84); C66(0.91); C179(0.95); C472(1.10)  LDD1608  [29]
 LDCM0405  CL18 HEK-293T C386(1.02); C66(1.09); C179(0.97); C472(1.17)  LDD1609  [29]
 LDCM0406  CL19 HEK-293T C386(1.02); C66(1.00); C179(0.86); C319(1.24)  LDD1610  [29]
 LDCM0407  CL2 HEK-293T C386(0.95); C66(0.95); C179(0.98); C319(1.41)  LDD1611  [29]
 LDCM0408  CL20 HEK-293T C386(0.92); C66(1.12); C179(1.03); C472(1.05)  LDD1612  [29]
 LDCM0409  CL21 HEK-293T C386(1.03); C66(1.03); C179(0.86); C472(1.10)  LDD1613  [29]
 LDCM0410  CL22 HEK-293T C386(0.92); C66(1.11); C179(1.13); C472(1.13)  LDD1614  [29]
 LDCM0411  CL23 HEK-293T C386(0.99); C66(1.10); C179(0.91); C472(0.99)  LDD1615  [29]
 LDCM0412  CL24 HEK-293T C386(0.86); C66(1.24); C179(0.99); C472(0.94)  LDD1616  [29]
 LDCM0413  CL25 HEK-293T C386(0.94); C66(1.04); C179(1.05); C472(1.19)  LDD1617  [29]
 LDCM0414  CL26 HEK-293T C386(1.02); C66(1.04); C179(1.01); C319(1.75)  LDD1618  [29]
 LDCM0415  CL27 HEK-293T C386(0.99); C66(1.05); C179(0.99); C472(0.89)  LDD1619  [29]
 LDCM0416  CL28 HEK-293T C386(1.01); C66(0.93); C179(0.89); C472(1.03)  LDD1620  [29]
 LDCM0417  CL29 HEK-293T C386(0.94); C66(1.14); C179(0.96); C472(0.91)  LDD1621  [29]
 LDCM0418  CL3 HEK-293T C386(0.90); C66(1.10); C179(1.06); C472(0.95)  LDD1622  [29]
 LDCM0419  CL30 HEK-293T C386(1.09); C66(1.06); C179(1.01); C472(0.88)  LDD1623  [29]
 LDCM0420  CL31 HEK-293T C386(1.09); C66(1.02); C179(0.93); C319(1.12)  LDD1624  [29]
 LDCM0421  CL32 HEK-293T C386(1.00); C66(1.37); C179(1.01); C472(0.87)  LDD1625  [29]
 LDCM0422  CL33 HEK-293T C386(1.00); C66(1.03); C179(0.91); C472(1.54)  LDD1626  [29]
 LDCM0423  CL34 HEK-293T C386(1.11); C66(1.18); C179(1.00); C472(0.94)  LDD1627  [29]
 LDCM0424  CL35 HEK-293T C386(1.02); C66(1.04); C179(0.82); C472(1.04)  LDD1628  [29]
 LDCM0425  CL36 HEK-293T C386(0.97); C66(1.20); C179(0.92); C472(0.97)  LDD1629  [29]
 LDCM0426  CL37 HEK-293T C386(1.04); C66(1.06); C179(0.99); C472(1.34)  LDD1630  [29]
 LDCM0428  CL39 HEK-293T C386(1.06); C66(0.95); C179(1.03); C472(1.02)  LDD1632  [29]
 LDCM0429  CL4 HEK-293T C386(1.04); C66(1.01); C179(0.98); C472(1.04)  LDD1633  [29]
 LDCM0430  CL40 HEK-293T C386(0.99); C66(0.95); C179(0.95); C472(1.12)  LDD1634  [29]
 LDCM0431  CL41 HEK-293T C386(0.91); C66(1.04); C179(0.89); C472(0.88)  LDD1635  [29]
 LDCM0432  CL42 HEK-293T C386(1.07); C66(1.16); C179(1.01); C472(1.04)  LDD1636  [29]
 LDCM0433  CL43 HEK-293T C386(1.03); C66(1.02); C179(0.97); C319(1.52)  LDD1637  [29]
 LDCM0434  CL44 HEK-293T C386(1.06); C66(1.26); C179(1.04); C472(0.94)  LDD1638  [29]
 LDCM0435  CL45 HEK-293T C386(0.99); C66(1.03); C179(1.00); C472(1.68)  LDD1639  [29]
 LDCM0436  CL46 PaTu 8988t C472(1.43)  LDD1315  [28]
 LDCM0437  CL47 PaTu 8988t C472(1.72)  LDD1316  [28]
 LDCM0438  CL48 PaTu 8988t C472(1.09)  LDD1317  [28]
 LDCM0439  CL49 PaTu 8988t C472(1.41)  LDD1318  [28]
 LDCM0440  CL5 HEK-293T C386(0.78); C66(0.93); C179(1.03); C472(1.04)  LDD1644  [29]
 LDCM0441  CL50 PaTu 8988t C472(1.53)  LDD1320  [28]
 LDCM0442  CL51 PaTu 8988t C472(1.17)  LDD1321  [28]
 LDCM0443  CL52 PaTu 8988t C472(1.28)  LDD1322  [28]
 LDCM0444  CL53 PaTu 8988t C472(1.09)  LDD1323  [28]
 LDCM0445  CL54 PaTu 8988t C472(1.51)  LDD1324  [28]
 LDCM0446  CL55 PaTu 8988t C472(1.49)  LDD1325  [28]
 LDCM0447  CL56 PaTu 8988t C472(0.81)  LDD1326  [28]
 LDCM0448  CL57 PaTu 8988t C472(0.85)  LDD1327  [28]
 LDCM0449  CL58 PaTu 8988t C472(1.38)  LDD1328  [28]
 LDCM0450  CL59 PaTu 8988t C472(1.02)  LDD1329  [28]
 LDCM0451  CL6 HEK-293T C386(0.91); C66(0.99); C179(1.01); C472(0.90)  LDD1654  [29]
 LDCM0452  CL60 PaTu 8988t C472(1.40)  LDD1331  [28]
 LDCM0453  CL61 HEK-293T C386(0.91); C66(0.98); C179(1.00); C472(1.11)  LDD1656  [29]
 LDCM0454  CL62 HEK-293T C386(1.01); C66(0.99); C179(0.92); C319(1.22)  LDD1657  [29]
 LDCM0455  CL63 HEK-293T C386(1.00); C66(1.05); C179(1.03); C472(1.09)  LDD1658  [29]
 LDCM0456  CL64 HEK-293T C386(0.95); C66(0.88); C179(0.88); C472(0.87)  LDD1659  [29]
 LDCM0457  CL65 HEK-293T C386(0.87); C66(0.96); C179(0.92); C472(0.91)  LDD1660  [29]
 LDCM0458  CL66 HEK-293T C386(1.00); C66(1.02); C179(0.97); C472(1.09)  LDD1661  [29]
 LDCM0459  CL67 HEK-293T C386(1.05); C66(1.09); C179(0.93); C319(0.85)  LDD1662  [29]
 LDCM0460  CL68 HEK-293T C386(1.09); C66(1.13); C179(0.96); C472(0.97)  LDD1663  [29]
 LDCM0461  CL69 HEK-293T C386(1.05); C66(1.15); C179(0.96); C472(1.41)  LDD1664  [29]
 LDCM0462  CL7 HEK-293T C386(0.97); C66(1.00); C179(1.04); C319(1.51)  LDD1665  [29]
 LDCM0463  CL70 HEK-293T C386(1.02); C66(1.13); C179(0.99); C472(0.93)  LDD1666  [29]
 LDCM0464  CL71 HEK-293T C386(1.00); C66(1.15); C179(0.87); C472(1.05)  LDD1667  [29]
 LDCM0465  CL72 HEK-293T C386(0.96); C66(1.15); C179(1.03); C472(1.08)  LDD1668  [29]
 LDCM0466  CL73 HEK-293T C386(0.86); C66(1.06); C179(0.99); C472(1.10)  LDD1669  [29]
 LDCM0467  CL74 HEK-293T C386(1.08); C66(0.97); C179(0.86); C319(1.09)  LDD1670  [29]
 LDCM0469  CL76 HEK-293T C386(1.00); C66(1.04); C179(0.97); C472(0.99)  LDD1672  [29]
 LDCM0470  CL77 HEK-293T C386(1.01); C66(0.95); C179(0.89); C472(1.08)  LDD1673  [29]
 LDCM0471  CL78 HEK-293T C386(1.00); C66(1.01); C179(1.08); C472(1.05)  LDD1674  [29]
 LDCM0472  CL79 HEK-293T C386(1.05); C66(1.02); C179(0.95); C319(1.27)  LDD1675  [29]
 LDCM0473  CL8 HEK-293T C386(1.06); C66(0.81); C179(0.82); C472(1.47)  LDD1676  [29]
 LDCM0474  CL80 HEK-293T C386(1.05); C66(1.28); C179(1.01); C472(0.99)  LDD1677  [29]
 LDCM0475  CL81 HEK-293T C386(1.01); C66(1.09); C179(0.97); C472(1.06)  LDD1678  [29]
 LDCM0476  CL82 HEK-293T C386(1.07); C66(1.12); C179(1.01); C472(1.10)  LDD1679  [29]
 LDCM0477  CL83 HEK-293T C386(1.00); C66(1.05); C179(0.94); C472(0.99)  LDD1680  [29]
 LDCM0478  CL84 HEK-293T C386(1.02); C66(1.16); C179(0.91); C472(1.21)  LDD1681  [29]
 LDCM0479  CL85 HEK-293T C386(0.92); C66(1.03); C179(0.99); C472(1.27)  LDD1682  [29]
 LDCM0480  CL86 HEK-293T C386(0.99); C66(0.96); C179(0.92); C319(1.03)  LDD1683  [29]
 LDCM0481  CL87 HEK-293T C386(0.92); C66(0.97); C179(0.94); C472(0.92)  LDD1684  [29]
 LDCM0482  CL88 HEK-293T C386(0.97); C66(1.00); C179(0.96); C472(1.06)  LDD1685  [29]
 LDCM0483  CL89 HEK-293T C386(0.89); C66(1.04); C179(1.08); C472(0.97)  LDD1686  [29]
 LDCM0484  CL9 HEK-293T C386(1.02); C66(1.06); C179(1.01); C472(1.11)  LDD1687  [29]
 LDCM0485  CL90 HEK-293T C386(1.03); C66(0.93); C179(0.93); C472(1.42)  LDD1688  [29]
 LDCM0486  CL91 PaTu 8988t C472(0.89)  LDD1365  [28]
 LDCM0487  CL92 PaTu 8988t C472(0.85)  LDD1366  [28]
 LDCM0488  CL93 PaTu 8988t C472(1.07)  LDD1367  [28]
 LDCM0489  CL94 PaTu 8988t C472(1.47)  LDD1368  [28]
 LDCM0490  CL95 PaTu 8988t C472(1.72)  LDD1369  [28]
 LDCM0491  CL96 PaTu 8988t C472(1.11)  LDD1370  [28]
 LDCM0492  CL97 PaTu 8988t C472(1.22)  LDD1371  [28]
 LDCM0493  CL98 PaTu 8988t C472(1.85)  LDD1372  [28]
 LDCM0494  CL99 PaTu 8988t C472(0.89)  LDD1373  [28]
 LDCM0093  CY-5 Bcap37 8.70  LDD0253  [30]
 LDCM0495  E2913 HEK-293T C386(0.92); C66(0.98); C179(0.95); C472(1.26)  LDD1698  [29]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C386(2.51)  LDD1702  [12]
 LDCM0625  F8 Ramos C386(0.83)  LDD2187  [31]
 LDCM0572  Fragment10 Ramos C386(0.47)  LDD2189  [31]
 LDCM0574  Fragment12 MDA-MB-231 C319(20.00)  LDD1468  [32]
 LDCM0575  Fragment13 Ramos C386(0.98)  LDD2192  [31]
 LDCM0576  Fragment14 MDA-MB-231 C319(3.25)  LDD1471  [32]
 LDCM0579  Fragment20 Ramos C386(0.55)  LDD2194  [31]
 LDCM0580  Fragment21 Ramos C386(0.88)  LDD2195  [31]
 LDCM0582  Fragment23 Ramos C386(0.97)  LDD2196  [31]
 LDCM0578  Fragment27 Ramos C386(1.12)  LDD2197  [31]
 LDCM0586  Fragment28 Ramos C386(0.77)  LDD2198  [31]
 LDCM0587  Fragment29 Ramos C319(10.48)  LDD1476  [32]
 LDCM0588  Fragment30 Ramos C386(0.91)  LDD2199  [31]
 LDCM0589  Fragment31 Ramos C386(0.79)  LDD2200  [31]
 LDCM0590  Fragment32 Ramos C386(0.40)  LDD2201  [31]
 LDCM0468  Fragment33 HEK-293T C386(1.05); C66(1.15); C179(0.74); C472(1.07)  LDD1671  [29]
 LDCM0596  Fragment38 Ramos C386(1.01)  LDD2203  [31]
 LDCM0566  Fragment4 MDA-MB-231 C319(20.00)  LDD1461  [32]
 LDCM0599  Fragment41 MDA-MB-231 C319(0.88)  LDD1481  [32]
 LDCM0603  Fragment45 MDA-MB-231 C319(20.00)  LDD1482  [32]
 LDCM0427  Fragment51 HEK-293T C386(0.94); C66(0.93); C179(0.91); C319(1.30)  LDD1631  [29]
 LDCM0610  Fragment52 Ramos C386(1.03)  LDD2204  [31]
 LDCM0614  Fragment56 Ramos C386(1.32)  LDD2205  [31]
 LDCM0569  Fragment7 Ramos C386(0.79)  LDD2186  [31]
 LDCM0571  Fragment9 Ramos C319(20.00)  LDD1464  [32]
 LDCM0107  IAA HeLa C66(0.00); C386(0.00)  LDD0221  [19]
 LDCM0022  KB02 HEK-293T C386(0.96); C66(0.95); C179(0.93); C472(1.08)  LDD1492  [29]
 LDCM0023  KB03 HEK-293T C386(1.08); C66(1.02); C179(1.07); C472(0.97)  LDD1497  [29]
 LDCM0024  KB05 G361 C472(1.22); C179(1.30); C386(1.88)  LDD3311  [11]
 LDCM0109  NEM HeLa H46(0.00); C386(0.00)  LDD0223  [19]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C386(1.06)  LDD2093  [12]
 LDCM0501  Nucleophilic fragment 13b MDA-MB-231 C66(1.35)  LDD2094  [12]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C386(1.10)  LDD2099  [12]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C386(0.91)  LDD2107  [12]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C386(0.64)  LDD2109  [12]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C386(0.95)  LDD2111  [12]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C386(0.71)  LDD2114  [12]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C66(0.96)  LDD2118  [12]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C386(1.68)  LDD2119  [12]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C386(0.76)  LDD2120  [12]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C386(0.93)  LDD2123  [12]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C386(0.79)  LDD2125  [12]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C386(0.75)  LDD2127  [12]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C386(1.02)  LDD2129  [12]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C386(1.06)  LDD2135  [12]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C386(1.15)  LDD2136  [12]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C386(0.84)  LDD2140  [12]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C386(0.37)  LDD2141  [12]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C386(2.45)  LDD2144  [12]
 LDCM0551  Nucleophilic fragment 5b MDA-MB-231 C386(0.47)  LDD2145  [12]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C386(0.80)  LDD2146  [12]
 LDCM0553  Nucleophilic fragment 6b MDA-MB-231 C386(1.22)  LDD2147  [12]
 LDCM0099  Phenelzine HEK-293T 11.81  LDD0282  [10]
 LDCM0003  Sulforaphane MDA-MB-231 3.62  LDD0160  [13]
 LDCM0021  THZ1 HCT 116 C386(1.32)  LDD2173  [28]
 LDCM0008  Tranylcypromine HeLa 2.35  LDD0320  [5]

The Interaction Atlas With This Target

The Drug(s) Related To This Target

Approved
Click To Hide/Show 8 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Amyl Nitrite Small molecular drug DB01612
Disulfiram Small molecular drug DB00822
Guanidine Small molecular drug DB00536
Nadh Small molecular drug DB00157
Nitric Oxide Small molecular drug DB00435
Nitroglycerin Small molecular drug DB00727
Pentaerythritol Tetranitrate Small molecular drug DB06154
Silodosin Small molecular drug DB06207
Phase 2
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Ald-401 . D0D8SN
Phase 1
Click To Hide/Show 3 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Ans-6637 . D09PSY
Fp-045 . D0BI7J
Gs-6637 . D00IXN
Investigative
Click To Hide/Show 6 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Crotonaldehyde Small molecular drug DB04381
Crotylaldehyde Small molecular drug D09CSB
Cvt-10216 Small molecular drug D0W4WP
Isoformonentin Small molecular drug D08MTZ
Nicotinamide-adenine-dinucleotide Small molecular drug D0R6JE
Prunetin Small molecular drug D0A9RM
Discontinued
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Daidzin Small molecular drug D01WGJ

References

1 Hydrazines as versatile chemical biology probes and drug-discovery tools for cofactor-dependent enzymes. bioRxiv, 2020-06.
2 Charting the Chemical Space of Acrylamide-Based Inhibitors of zDHHC20. ACS Med Chem Lett. 2022 Sep 26;13(10):1648-1654. doi: 10.1021/acsmedchemlett.2c00336. eCollection 2022 Oct 13.
3 Cyclopropenone, Cyclopropeniminium Ion, and Cyclopropenethione as Novel Electrophilic Warheads for Potential Target Discovery of Triple-Negative Breast Cancer. J Med Chem. 2023 Feb 23;66(4):2851-2864. doi: 10.1021/acs.jmedchem.2c01889. Epub 2023 Feb 10.
4 Oxidant-Induced Bioconjugation for Protein Labeling in Live Cells. ACS Chem Biol. 2023 Jan 20;18(1):112-122. doi: 10.1021/acschembio.2c00740. Epub 2022 Dec 21.
5 Tranylcypromine specificity for monoamine oxidase is limited by promiscuous protein labelling and lysosomal trapping. RSC Chem Biol. 2020 Aug 12;1(4):209-213. doi: 10.1039/d0cb00048e. eCollection 2020 Oct 1.
Mass spectrometry data entry: PXD018580
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 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.
9 Discovery of Potent and Selective Inhibitors against Protein-Derived Electrophilic Cofactors. J Am Chem Soc. 2022 Mar 30;144(12):5377-5388. doi: 10.1021/jacs.1c12748. Epub 2022 Mar 2.
10 Activity-Based Hydrazine Probes for Protein Profiling of Electrophilic Functionality in Therapeutic Targets. ACS Cent Sci. 2021 Sep 22;7(9):1524-1534. doi: 10.1021/acscentsci.1c00616. Epub 2021 Aug 19.
11 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
12 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
13 Competition-based, quantitative chemical proteomics in breast cancer cells identifies new target profiles for sulforaphane. Chem Commun (Camb). 2017 May 4;53(37):5182-5185. doi: 10.1039/c6cc08797c.
Mass spectrometry data entry: PXD006279
14 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.
15 SP3-FAIMS Chemoproteomics for High-Coverage Profiling of the Human Cysteinome*. Chembiochem. 2021 May 14;22(10):1841-1851. doi: 10.1002/cbic.202000870. Epub 2021 Feb 18.
Mass spectrometry data entry: PXD023056 , PXD023059 , PXD023058 , PXD023057 , PXD023060
16 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
17 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
18 Tunable Amine-Reactive Electrophiles for Selective Profiling of Lysine. Angew Chem Int Ed Engl. 2022 Jan 26;61(5):e202112107. doi: 10.1002/anie.202112107. Epub 2021 Dec 16.
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Mass spectrometry data entry: PXD038010
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Mass spectrometry data entry: PXD041587
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Mass spectrometry data entry: PXD007570
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Mass spectrometry data entry: PXD044402
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Mass spectrometry data entry: PXD027578
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