Details of the Target

General Information of Target

Target ID LDTP03560
Target Name Aldehyde dehydrogenase X, mitochondrial (ALDH1B1)
Gene Name ALDH1B1
Gene ID 219
Synonyms
ALDH5; ALDHX; Aldehyde dehydrogenase X, mitochondrial; EC 1.2.1.3; Aldehyde dehydrogenase 5; Aldehyde dehydrogenase family 1 member B1
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MLRFLAPRLLSLQGRTARYSSAAALPSPILNPDIPYNQLFINNEWQDAVSKKTFPTVNPT
TGEVIGHVAEGDRADVDRAVKAAREAFRLGSPWRRMDASERGRLLNRLADLVERDRVYLA
SLETLDNGKPFQESYALDLDEVIKVYRYFAGWADKWHGKTIPMDGQHFCFTRHEPVGVCG
QIIPWNFPLVMQGWKLAPALATGNTVVMKVAEQTPLSALYLASLIKEAGFPPGVVNIITG
YGPTAGAAIAQHVDVDKVAFTGSTEVGHLIQKAAGDSNLKRVTLELGGKSPSIVLADADM
EHAVEQCHEALFFNMGQCCCAGSRTFVEESIYNEFLERTVEKAKQRKVGNPFELDTQQGP
QVDKEQFERVLGYIQLGQKEGAKLLCGGERFGERGFFIKPTVFGGVQDDMRIAKEEIFGP
VQPLFKFKKIEEVVERANNTRYGLAAAVFTRDLDKAMYFTQALQAGTVWVNTYNIVTCHT
PFGGFKESGNGRELGEDGLKAYTEVKTVTIKVPQKNS
Target Bioclass
Enzyme
Family
Aldehyde dehydrogenase family
Subcellular location
Mitochondrion matrix
Function ALDHs play a major role in the detoxification of alcohol-derived acetaldehyde. They are involved in the metabolism of corticosteroids, biogenic amines, neurotransmitters, and lipid peroxidation.
Uniprot ID
P30837
Ensemble ID
ENST00000377698.4
HGNC ID
HGNC:407
ChEMBL ID
CHEMBL4881

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 40 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
m-APA
 Probe Info  		13.17  LDD0402  [1]
Alkylaryl probe 1
 Probe Info  		6.00  LDD0385  [2]
Alkylaryl probe 2
 Probe Info  		11.00  LDD0389  [2]
AZ-5
 Probe Info  		10.00  LDD0394  [3]
ILS-2
 Probe Info  		4.13  LDD0416  [4]
FBPP2
 Probe Info  		3.97  LDD0318  [5]
CY-1
 Probe Info  		100.00  LDD0243  [6]
N1
 Probe Info  		100.00  LDD0242  [6]
W1
 Probe Info  		14.74  LDD0235  [7]
TH211
 Probe Info  		Y373(20.00); Y220(9.92)  LDD0257  [8]
TH214
 Probe Info  		Y442(20.00); Y373(15.21)  LDD0258  [8]
TH216
 Probe Info  		Y332(20.00); Y373(20.00)  LDD0259  [8]
YN-1
 Probe Info  		100.00  LDD0444  [9]
YN-4
 Probe Info  		100.00  LDD0445  [9]
STPyne
 Probe Info  		K379(1.00); K399(10.00); K414(10.00); K426(10.00)  LDD0277  [10]
AZ-9
 Probe Info  		E285(1.00)  LDD2208  [3]
Probe 1
 Probe Info  		Y442(12.36)  LDD3495  [11]
P11
 Probe Info  		16.52  LDD0201  [12]
Alkylaryl probe 3
 Probe Info  		5.56  LDD0282  [13]
BTD
 Probe Info  		C386(0.89)  LDD2099  [14]
Jackson_14
 Probe Info  		2.50  LDD0123  [15]
HPAP
 Probe Info  		3.06  LDD0062  [16]
FBP2
 Probe Info  		2.76  LDD0320  [5]
DBIA
 Probe Info  		C169(0.89)  LDD0078  [17]
5E-2FA
 Probe Info  		N.A.  LDD2235  [18]
ATP probe
 Probe Info  		K379(0.00); K383(0.00); K414(0.00); K399(0.00)  LDD0199  [19]
IA-alkyne
 Probe Info  		N.A.  LDD0032  [20]
NAIA_4
 Probe Info  		N.A.  LDD2226  [21]
1d-yne
 Probe Info  		N.A.  LDD0356  [22]
IPM
 Probe Info  		N.A.  LDD0005  [23]
NHS
 Probe Info  		K500(0.00); K414(0.00); K379(0.00)  LDD0010  [23]
SF
 Probe Info  		N.A.  LDD0028  [24]
TFBX
 Probe Info  		N.A.  LDD0148  [25]
Phosphinate-6
 Probe Info  		C386(0.00); C320(0.00); C179(0.00); C319(0.00)  LDD0018  [26]
1c-yne
 Probe Info  		K347(0.00); K364(0.00); K209(0.00); K399(0.00)  LDD0228  [22]
Acrolein
 Probe Info  		N.A.  LDD0217  [27]
Crotonaldehyde
 Probe Info  		C386(0.00); C169(0.00)  LDD0219  [27]
Methacrolein
 Probe Info  		N.A.  LDD0218  [27]
AOyne
 Probe Info  		13.50  LDD0443  [28]
HHS-482
 Probe Info  		Y148(1.08)  LDD2239  [29]
PAL-AfBPP Probe
Click To Hide/Show 38 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
ILS-1 PP
 Probe Info  		2.79  LDD0417  [4]
C024
 Probe Info  		6.11  LDD1730  [30]
C041
 Probe Info  		5.94  LDD1741  [30]
C138
 Probe Info  		5.39  LDD1820  [30]
C145
 Probe Info  		9.65  LDD1827  [30]
C147
 Probe Info  		11.16  LDD1829  [30]
C158
 Probe Info  		9.32  LDD1838  [30]
C160
 Probe Info  		6.96  LDD1840  [30]
C173
 Probe Info  		5.74  LDD1853  [30]
C176
 Probe Info  		5.43  LDD1855  [30]
C204
 Probe Info  		5.03  LDD1879  [30]
C205
 Probe Info  		5.54  LDD1880  [30]
C347
 Probe Info  		5.70  LDD2008  [30]
C353
 Probe Info  		13.93  LDD2014  [30]
C354
 Probe Info  		11.47  LDD2015  [30]
C361
 Probe Info  		26.91  LDD2022  [30]
C373
 Probe Info  		5.17  LDD2033  [30]
C390
 Probe Info  		23.26  LDD2049  [30]
C391
 Probe Info  		23.43  LDD2050  [30]
C393
 Probe Info  		6.06  LDD2052  [30]
C394
 Probe Info  		8.94  LDD2053  [30]
C396
 Probe Info  		5.17  LDD2055  [30]
C430
 Probe Info  		7.21  LDD2085  [30]
C432
 Probe Info  		6.54  LDD2087  [30]
C433
 Probe Info  		8.22  LDD2088  [30]
FFF probe11
 Probe Info  		9.13  LDD0486  [31]
FFF probe12
 Probe Info  		6.12  LDD0474  [31]
FFF probe14
 Probe Info  		13.10  LDD0477  [31]
FFF probe15
 Probe Info  		7.10  LDD0490  [31]
FFF probe2
 Probe Info  		13.22  LDD0463  [31]
FFF probe4
 Probe Info  		6.73  LDD0481  [31]
FFF probe6
 Probe Info  		15.30  LDD0482  [31]
FFF probe7
 Probe Info  		8.41  LDD0483  [31]
FFF probe9
 Probe Info  		12.55  LDD0470  [31]
JN0003
 Probe Info  		9.47  LDD0484  [31]
STS-2
 Probe Info  		N.A.  LDD0138  [32]
VE-P
 Probe Info  		N.A.  LDD0396  [33]
OEA-DA
 Probe Info  		20.00  LDD0046  [34]

Competitor(s) Related to This Target

Competitor ID Name Cell line Binding Site(Ratio) Interaction ID Ref
 LDCM0548  1-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-nitroethan-1-one MDA-MB-231 C386(0.60)  LDD2142  [14]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C386(0.92)  LDD2117  [14]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C386(1.32)  LDD2152  [14]
 LDCM0214  AC1 HCT 116 C169(0.84)  LDD0531  [17]
 LDCM0215  AC10 HCT 116 C169(1.24)  LDD0532  [17]
 LDCM0216  AC100 HCT 116 C169(0.46)  LDD0533  [17]
 LDCM0217  AC101 HCT 116 C169(0.44)  LDD0534  [17]
 LDCM0218  AC102 HCT 116 C169(0.41)  LDD0535  [17]
 LDCM0219  AC103 HCT 116 C169(0.51)  LDD0536  [17]
 LDCM0220  AC104 HCT 116 C169(0.39)  LDD0537  [17]
 LDCM0221  AC105 HCT 116 C169(0.49)  LDD0538  [17]
 LDCM0222  AC106 HCT 116 C169(0.43)  LDD0539  [17]
 LDCM0223  AC107 HCT 116 C169(0.45)  LDD0540  [17]
 LDCM0224  AC108 HCT 116 C169(0.55)  LDD0541  [17]
 LDCM0225  AC109 HCT 116 C169(0.46)  LDD0542  [17]
 LDCM0226  AC11 HCT 116 C169(1.14)  LDD0543  [17]
 LDCM0227  AC110 HCT 116 C169(0.68)  LDD0544  [17]
 LDCM0228  AC111 HCT 116 C169(0.58)  LDD0545  [17]
 LDCM0229  AC112 HCT 116 C169(0.56)  LDD0546  [17]
 LDCM0230  AC113 HCT 116 C169(0.63)  LDD0547  [17]
 LDCM0231  AC114 HCT 116 C169(0.44)  LDD0548  [17]
 LDCM0232  AC115 HCT 116 C169(0.32)  LDD0549  [17]
 LDCM0233  AC116 HCT 116 C169(0.32)  LDD0550  [17]
 LDCM0234  AC117 HCT 116 C169(0.51)  LDD0551  [17]
 LDCM0235  AC118 HCT 116 C169(0.35)  LDD0552  [17]
 LDCM0236  AC119 HCT 116 C169(0.37)  LDD0553  [17]
 LDCM0237  AC12 HCT 116 C169(1.10)  LDD0554  [17]
 LDCM0238  AC120 HCT 116 C169(0.34)  LDD0555  [17]
 LDCM0239  AC121 HCT 116 C169(0.41)  LDD0556  [17]
 LDCM0240  AC122 HCT 116 C169(0.61)  LDD0557  [17]
 LDCM0241  AC123 HCT 116 C169(0.77)  LDD0558  [17]
 LDCM0242  AC124 HCT 116 C169(0.58)  LDD0559  [17]
 LDCM0243  AC125 HCT 116 C169(0.42)  LDD0560  [17]
 LDCM0244  AC126 HCT 116 C169(0.53)  LDD0561  [17]
 LDCM0245  AC127 HCT 116 C169(0.48)  LDD0562  [17]
 LDCM0246  AC128 HCT 116 C169(0.73)  LDD0563  [17]
 LDCM0247  AC129 HCT 116 C169(1.65)  LDD0564  [17]
 LDCM0249  AC130 HCT 116 C169(2.36)  LDD0566  [17]
 LDCM0250  AC131 HCT 116 C169(1.87)  LDD0567  [17]
 LDCM0251  AC132 HCT 116 C169(1.10)  LDD0568  [17]
 LDCM0252  AC133 HCT 116 C169(0.96)  LDD0569  [17]
 LDCM0253  AC134 HCT 116 C169(1.12)  LDD0570  [17]
 LDCM0254  AC135 HCT 116 C169(1.27)  LDD0571  [17]
 LDCM0255  AC136 HCT 116 C169(1.03)  LDD0572  [17]
 LDCM0256  AC137 HCT 116 C169(1.42)  LDD0573  [17]
 LDCM0257  AC138 HCT 116 C169(1.05)  LDD0574  [17]
 LDCM0258  AC139 HCT 116 C169(1.59)  LDD0575  [17]
 LDCM0259  AC14 HCT 116 C169(1.54)  LDD0576  [17]
 LDCM0260  AC140 HCT 116 C169(1.14)  LDD0577  [17]
 LDCM0261  AC141 HCT 116 C169(0.95)  LDD0578  [17]
 LDCM0262  AC142 HCT 116 C169(2.05)  LDD0579  [17]
 LDCM0263  AC143 HCT 116 C169(1.11)  LDD0580  [17]
 LDCM0264  AC144 HCT 116 C169(0.30)  LDD0581  [17]
 LDCM0265  AC145 HCT 116 C169(0.44)  LDD0582  [17]
 LDCM0266  AC146 HCT 116 C169(0.53)  LDD0583  [17]
 LDCM0267  AC147 HCT 116 C169(0.32)  LDD0584  [17]
 LDCM0268  AC148 HCT 116 C169(0.29)  LDD0585  [17]
 LDCM0269  AC149 HCT 116 C169(0.32)  LDD0586  [17]
 LDCM0270  AC15 HCT 116 C169(1.18)  LDD0587  [17]
 LDCM0271  AC150 HCT 116 C169(0.55)  LDD0588  [17]
 LDCM0272  AC151 HCT 116 C169(0.49)  LDD0589  [17]
 LDCM0273  AC152 HCT 116 C169(0.34)  LDD0590  [17]
 LDCM0274  AC153 HCT 116 C169(0.26)  LDD0591  [17]
 LDCM0621  AC154 HCT 116 C169(0.34)  LDD2158  [17]
 LDCM0622  AC155 HCT 116 C169(0.49)  LDD2159  [17]
 LDCM0623  AC156 HCT 116 C169(0.70)  LDD2160  [17]
 LDCM0624  AC157 HCT 116 C169(0.65)  LDD2161  [17]
 LDCM0276  AC17 HCT 116 C169(0.79); C179(0.80)  LDD0593  [17]
 LDCM0277  AC18 HCT 116 C179(0.39); C169(0.71)  LDD0594  [17]
 LDCM0278  AC19 HCT 116 C179(0.52); C169(0.75)  LDD0595  [17]
 LDCM0279  AC2 HCT 116 C169(0.80)  LDD0596  [17]
 LDCM0280  AC20 HCT 116 C179(0.57); C169(1.12)  LDD0597  [17]
 LDCM0281  AC21 HCT 116 C179(0.50); C169(0.92)  LDD0598  [17]
 LDCM0282  AC22 HCT 116 C179(0.72); C169(0.97)  LDD0599  [17]
 LDCM0283  AC23 HCT 116 C179(0.59); C169(0.77)  LDD0600  [17]
 LDCM0284  AC24 HCT 116 C179(0.79); C169(0.86)  LDD0601  [17]
 LDCM0285  AC25 HCT 116 C169(0.78)  LDD0602  [17]
 LDCM0286  AC26 HCT 116 C169(0.70)  LDD0603  [17]
 LDCM0287  AC27 HCT 116 C169(0.89)  LDD0604  [17]
 LDCM0288  AC28 HCT 116 C169(1.76)  LDD0605  [17]
 LDCM0289  AC29 HCT 116 C169(0.83)  LDD0606  [17]
 LDCM0290  AC3 HCT 116 C169(0.72)  LDD0607  [17]
 LDCM0291  AC30 HCT 116 C169(0.75)  LDD0608  [17]
 LDCM0292  AC31 HCT 116 C169(0.94)  LDD0609  [17]
 LDCM0293  AC32 HCT 116 C169(0.68)  LDD0610  [17]
 LDCM0294  AC33 HCT 116 C169(0.84)  LDD0611  [17]
 LDCM0295  AC34 HCT 116 C169(0.84)  LDD0612  [17]
 LDCM0296  AC35 HCT 116 C169(1.04)  LDD0613  [17]
 LDCM0297  AC36 HCT 116 C169(1.10)  LDD0614  [17]
 LDCM0298  AC37 HCT 116 C169(0.95)  LDD0615  [17]
 LDCM0299  AC38 HCT 116 C169(1.06)  LDD0616  [17]
 LDCM0300  AC39 HCT 116 C169(1.24)  LDD0617  [17]
 LDCM0301  AC4 HCT 116 C169(0.73)  LDD0618  [17]
 LDCM0302  AC40 HCT 116 C169(0.98)  LDD0619  [17]
 LDCM0303  AC41 HCT 116 C169(1.30)  LDD0620  [17]
 LDCM0304  AC42 HCT 116 C169(1.00)  LDD0621  [17]
 LDCM0305  AC43 HCT 116 C169(1.06)  LDD0622  [17]
 LDCM0306  AC44 HCT 116 C169(1.10)  LDD0623  [17]
 LDCM0307  AC45 HCT 116 C169(0.96)  LDD0624  [17]
 LDCM0308  AC46 HCT 116 C169(1.24)  LDD0625  [17]
 LDCM0309  AC47 HCT 116 C169(1.15)  LDD0626  [17]
 LDCM0310  AC48 HCT 116 C169(1.69)  LDD0627  [17]
 LDCM0311  AC49 HCT 116 C169(0.93)  LDD0628  [17]
 LDCM0312  AC5 HCT 116 C169(0.75)  LDD0629  [17]
 LDCM0313  AC50 HCT 116 C169(0.99)  LDD0630  [17]
 LDCM0314  AC51 HCT 116 C169(1.56)  LDD0631  [17]
 LDCM0315  AC52 HCT 116 C169(1.23)  LDD0632  [17]
 LDCM0316  AC53 HCT 116 C169(1.02)  LDD0633  [17]
 LDCM0317  AC54 HCT 116 C169(1.02)  LDD0634  [17]
 LDCM0318  AC55 HCT 116 C169(1.28)  LDD0635  [17]
 LDCM0319  AC56 HCT 116 C169(1.09)  LDD0636  [17]
 LDCM0320  AC57 HEK-293T C179(0.96)  LDD0918  [17]
 LDCM0321  AC58 HEK-293T C179(1.07)  LDD0919  [17]
 LDCM0322  AC59 HEK-293T C179(0.95)  LDD0920  [17]
 LDCM0323  AC6 HCT 116 C169(1.12)  LDD0640  [17]
 LDCM0324  AC60 HEK-293T C179(0.94)  LDD0922  [17]
 LDCM0325  AC61 HEK-293T C179(0.98)  LDD0923  [17]
 LDCM0326  AC62 HEK-293T C179(0.88)  LDD0924  [17]
 LDCM0327  AC63 HEK-293T C179(1.01)  LDD0925  [17]
 LDCM0328  AC64 HEK-293T C179(1.04)  LDD0926  [17]
 LDCM0329  AC65 HEK-293T C179(0.93)  LDD0927  [17]
 LDCM0330  AC66 HEK-293T C179(1.15)  LDD0928  [17]
 LDCM0331  AC67 HEK-293T C179(0.83)  LDD0929  [17]
 LDCM0332  AC68 HCT 116 C179(0.84)  LDD0649  [17]
 LDCM0333  AC69 HCT 116 C179(0.85)  LDD0650  [17]
 LDCM0334  AC7 HCT 116 C169(1.25)  LDD0651  [17]
 LDCM0335  AC70 HCT 116 C179(0.66)  LDD0652  [17]
 LDCM0336  AC71 HCT 116 C179(1.13)  LDD0653  [17]
 LDCM0337  AC72 HCT 116 C179(0.88)  LDD0654  [17]
 LDCM0338  AC73 HCT 116 C179(0.77)  LDD0655  [17]
 LDCM0339  AC74 HCT 116 C179(0.85)  LDD0656  [17]
 LDCM0340  AC75 HCT 116 C179(0.85)  LDD0657  [17]
 LDCM0341  AC76 HCT 116 C179(0.72)  LDD0658  [17]
 LDCM0342  AC77 HCT 116 C179(0.81)  LDD0659  [17]
 LDCM0343  AC78 HCT 116 C179(1.35)  LDD0660  [17]
 LDCM0344  AC79 HCT 116 C179(0.91)  LDD0661  [17]
 LDCM0345  AC8 HCT 116 C169(1.37)  LDD0662  [17]
 LDCM0346  AC80 HCT 116 C179(0.81)  LDD0663  [17]
 LDCM0347  AC81 HCT 116 C179(0.59)  LDD0664  [17]
 LDCM0348  AC82 HCT 116 C179(0.96)  LDD0665  [17]
 LDCM0349  AC83 HCT 116 C169(0.37); C179(0.37)  LDD0666  [17]
 LDCM0350  AC84 HCT 116 C169(0.36); C179(0.39)  LDD0667  [17]
 LDCM0351  AC85 HCT 116 C179(0.53); C169(0.55)  LDD0668  [17]
 LDCM0352  AC86 HCT 116 C169(0.45); C179(0.61)  LDD0669  [17]
 LDCM0353  AC87 HCT 116 C169(0.68); C179(0.87)  LDD0670  [17]
 LDCM0354  AC88 HCT 116 C169(0.41); C179(0.45)  LDD0671  [17]
 LDCM0355  AC89 HCT 116 C169(0.37); C179(0.44)  LDD0672  [17]
 LDCM0357  AC90 HCT 116 C169(0.71); C179(0.72)  LDD0674  [17]
 LDCM0358  AC91 HCT 116 C169(0.36); C179(0.41)  LDD0675  [17]
 LDCM0359  AC92 HCT 116 C169(0.36); C179(0.43)  LDD0676  [17]
 LDCM0360  AC93 HCT 116 C179(0.37); C169(0.42)  LDD0677  [17]
 LDCM0361  AC94 HCT 116 C169(0.48); C179(0.60)  LDD0678  [17]
 LDCM0362  AC95 HCT 116 C169(0.94); C179(0.94)  LDD0679  [17]
 LDCM0363  AC96 HCT 116 C169(0.48); C179(0.57)  LDD0680  [17]
 LDCM0364  AC97 HCT 116 C169(0.37); C179(0.39)  LDD0681  [17]
 LDCM0365  AC98 HCT 116 C169(0.39)  LDD0682  [17]
 LDCM0366  AC99 HCT 116 C169(0.56)  LDD0683  [17]
 LDCM0520  AKOS000195272 MDA-MB-231 C386(0.94)  LDD2113  [14]
 LDCM0248  AKOS034007472 HCT 116 C169(1.57)  LDD0565  [17]
 LDCM0356  AKOS034007680 HCT 116 C169(1.16)  LDD0673  [17]
 LDCM0275  AKOS034007705 HCT 116 C169(1.44)  LDD0592  [17]
 LDCM0156  Aniline NCI-H1299 12.63  LDD0403  [1]
 LDCM0020  ARS-1620 HCC44 C169(0.89)  LDD0078  [17]
 LDCM0088  C45 HEK-293T 16.52  LDD0201  [12]
 LDCM0108  Chloroacetamide HeLa N.A.  LDD0222  [27]
 LDCM0367  CL1 HCT 116 C169(5.55)  LDD0684  [17]
 LDCM0368  CL10 HCT 116 C169(1.13)  LDD0685  [17]
 LDCM0369  CL100 HCT 116 C169(0.76)  LDD0686  [17]
 LDCM0370  CL101 HCT 116 C169(2.40)  LDD0687  [17]
 LDCM0371  CL102 HCT 116 C169(3.03)  LDD0688  [17]
 LDCM0372  CL103 HCT 116 C169(1.75)  LDD0689  [17]
 LDCM0373  CL104 HCT 116 C169(1.13)  LDD0690  [17]
 LDCM0374  CL105 HCT 116 C179(1.29); C169(1.82)  LDD0691  [17]
 LDCM0375  CL106 HCT 116 C179(0.78); C169(0.83)  LDD0692  [17]
 LDCM0376  CL107 HCT 116 C179(0.33); C169(0.67)  LDD0693  [17]
 LDCM0377  CL108 HCT 116 C179(0.37); C169(0.65)  LDD0694  [17]
 LDCM0378  CL109 HCT 116 C169(1.96); C179(2.04)  LDD0695  [17]
 LDCM0379  CL11 HCT 116 C169(5.03)  LDD0696  [17]
 LDCM0380  CL110 HCT 116 C179(1.79); C169(2.63)  LDD0697  [17]
 LDCM0381  CL111 HCT 116 C179(1.28); C169(1.47)  LDD0698  [17]
 LDCM0382  CL112 HCT 116 C169(1.58)  LDD0699  [17]
 LDCM0383  CL113 HCT 116 C169(0.92)  LDD0700  [17]
 LDCM0384  CL114 HCT 116 C169(0.82)  LDD0701  [17]
 LDCM0385  CL115 HCT 116 C169(0.96)  LDD0702  [17]
 LDCM0386  CL116 HCT 116 C169(1.19)  LDD0703  [17]
 LDCM0387  CL117 HCT 116 C169(0.88)  LDD0704  [17]
 LDCM0388  CL118 HCT 116 C169(2.10)  LDD0705  [17]
 LDCM0389  CL119 HCT 116 C169(1.06)  LDD0706  [17]
 LDCM0390  CL12 HCT 116 C169(5.02)  LDD0707  [17]
 LDCM0391  CL120 HCT 116 C169(1.09)  LDD0708  [17]
 LDCM0392  CL121 HCT 116 C169(3.01)  LDD0709  [17]
 LDCM0393  CL122 HCT 116 C169(5.70)  LDD0710  [17]
 LDCM0394  CL123 HCT 116 C169(4.34)  LDD0711  [17]
 LDCM0395  CL124 HCT 116 C169(4.64)  LDD0712  [17]
 LDCM0396  CL125 HEK-293T C179(1.05)  LDD0994  [17]
 LDCM0397  CL126 HEK-293T C179(1.04)  LDD0995  [17]
 LDCM0398  CL127 HEK-293T C179(1.38)  LDD0996  [17]
 LDCM0399  CL128 HEK-293T C179(1.18)  LDD0997  [17]
 LDCM0400  CL13 HCT 116 C169(4.58)  LDD0717  [17]
 LDCM0401  CL14 HCT 116 C169(3.72)  LDD0718  [17]
 LDCM0402  CL15 HCT 116 C169(3.58)  LDD0719  [17]
 LDCM0403  CL16 HCT 116 C169(0.84)  LDD0720  [17]
 LDCM0404  CL17 HCT 116 C169(1.21)  LDD0721  [17]
 LDCM0405  CL18 HCT 116 C169(2.28)  LDD0722  [17]
 LDCM0406  CL19 HCT 116 C169(3.99)  LDD0723  [17]
 LDCM0407  CL2 HCT 116 C169(3.17)  LDD0724  [17]
 LDCM0408  CL20 HCT 116 C169(0.75)  LDD0725  [17]
 LDCM0409  CL21 HCT 116 C169(0.90)  LDD0726  [17]
 LDCM0410  CL22 HCT 116 C169(0.87)  LDD0727  [17]
 LDCM0411  CL23 HCT 116 C169(0.70)  LDD0728  [17]
 LDCM0412  CL24 HCT 116 C169(0.59)  LDD0729  [17]
 LDCM0413  CL25 HCT 116 C169(0.66)  LDD0730  [17]
 LDCM0414  CL26 HCT 116 C169(1.61)  LDD0731  [17]
 LDCM0415  CL27 HCT 116 C169(1.04)  LDD0732  [17]
 LDCM0416  CL28 HCT 116 C169(0.72)  LDD0733  [17]
 LDCM0417  CL29 HCT 116 C169(0.74)  LDD0734  [17]
 LDCM0418  CL3 HCT 116 C169(0.83)  LDD0735  [17]
 LDCM0419  CL30 HCT 116 C169(0.77)  LDD0736  [17]
 LDCM0420  CL31 HEK-293T C169(1.08); C179(0.78)  LDD1018  [17]
 LDCM0421  CL32 HCT 116 C169(1.46)  LDD0738  [17]
 LDCM0422  CL33 HCT 116 C169(1.37)  LDD0739  [17]
 LDCM0423  CL34 HCT 116 C169(1.32)  LDD0740  [17]
 LDCM0424  CL35 HCT 116 C169(1.27)  LDD0741  [17]
 LDCM0425  CL36 HCT 116 C169(1.97)  LDD0742  [17]
 LDCM0426  CL37 HCT 116 C169(0.86)  LDD0743  [17]
 LDCM0428  CL39 HCT 116 C169(1.35)  LDD0745  [17]
 LDCM0429  CL4 HCT 116 C169(6.61)  LDD0746  [17]
 LDCM0430  CL40 HCT 116 C169(1.51)  LDD0747  [17]
 LDCM0431  CL41 HCT 116 C169(0.74)  LDD0748  [17]
 LDCM0432  CL42 HCT 116 C169(1.55)  LDD0749  [17]
 LDCM0433  CL43 HCT 116 C169(1.34)  LDD0750  [17]
 LDCM0434  CL44 HCT 116 C169(1.38)  LDD0751  [17]
 LDCM0435  CL45 HCT 116 C169(1.27)  LDD0752  [17]
 LDCM0436  CL46 HCT 116 C169(0.74)  LDD0753  [17]
 LDCM0437  CL47 HCT 116 C169(1.18)  LDD0754  [17]
 LDCM0438  CL48 HCT 116 C169(1.44)  LDD0755  [17]
 LDCM0439  CL49 HCT 116 C169(0.98)  LDD0756  [17]
 LDCM0440  CL5 HCT 116 C169(9.26)  LDD0757  [17]
 LDCM0441  CL50 HCT 116 C169(1.52)  LDD0758  [17]
 LDCM0442  CL51 HCT 116 C169(0.78)  LDD0759  [17]
 LDCM0443  CL52 HCT 116 C169(1.14)  LDD0760  [17]
 LDCM0444  CL53 HCT 116 C169(1.48)  LDD0761  [17]
 LDCM0445  CL54 HCT 116 C169(1.16)  LDD0762  [17]
 LDCM0446  CL55 HCT 116 C169(1.80)  LDD0763  [17]
 LDCM0447  CL56 HCT 116 C169(1.24)  LDD0764  [17]
 LDCM0448  CL57 HCT 116 C169(1.19)  LDD0765  [17]
 LDCM0449  CL58 HCT 116 C169(0.91)  LDD0766  [17]
 LDCM0450  CL59 HCT 116 C169(0.87)  LDD0767  [17]
 LDCM0451  CL6 HCT 116 C169(4.71)  LDD0768  [17]
 LDCM0452  CL60 HCT 116 C169(1.21)  LDD0769  [17]
 LDCM0453  CL61 HCT 116 C169(0.98); C179(0.87)  LDD0770  [17]
 LDCM0454  CL62 HCT 116 C169(2.10); C179(2.93)  LDD0771  [17]
 LDCM0455  CL63 HCT 116 C169(1.42); C179(1.90)  LDD0772  [17]
 LDCM0456  CL64 HCT 116 C169(1.38); C179(1.69)  LDD0773  [17]
 LDCM0457  CL65 HCT 116 C169(0.62); C179(0.65)  LDD0774  [17]
 LDCM0458  CL66 HCT 116 C169(0.55); C179(0.59)  LDD0775  [17]
 LDCM0459  CL67 HCT 116 C169(0.67); C179(0.62)  LDD0776  [17]
 LDCM0460  CL68 HCT 116 C169(1.96); C179(2.28)  LDD0777  [17]
 LDCM0461  CL69 HCT 116 C169(1.60); C179(3.98)  LDD0778  [17]
 LDCM0462  CL7 HCT 116 C169(6.32)  LDD0779  [17]
 LDCM0463  CL70 HCT 116 C169(1.89); C179(3.28)  LDD0780  [17]
 LDCM0464  CL71 HCT 116 C169(0.59); C179(0.59)  LDD0781  [17]
 LDCM0465  CL72 HCT 116 C169(0.98); C179(1.10)  LDD0782  [17]
 LDCM0466  CL73 HCT 116 C169(2.00); C179(1.55)  LDD0783  [17]
 LDCM0467  CL74 HCT 116 C169(1.27); C179(1.14)  LDD0784  [17]
 LDCM0469  CL76 HCT 116 C169(0.94)  LDD0786  [17]
 LDCM0470  CL77 HCT 116 C169(4.29)  LDD0787  [17]
 LDCM0471  CL78 HCT 116 C169(1.83)  LDD0788  [17]
 LDCM0472  CL79 HCT 116 C169(3.70)  LDD0789  [17]
 LDCM0473  CL8 HCT 116 C169(1.38)  LDD0790  [17]
 LDCM0474  CL80 HCT 116 C169(2.02)  LDD0791  [17]
 LDCM0475  CL81 HCT 116 C169(0.85)  LDD0792  [17]
 LDCM0476  CL82 HCT 116 C169(2.72)  LDD0793  [17]
 LDCM0477  CL83 HCT 116 C169(1.40)  LDD0794  [17]
 LDCM0478  CL84 HCT 116 C169(3.87)  LDD0795  [17]
 LDCM0479  CL85 HCT 116 C169(1.56)  LDD0796  [17]
 LDCM0480  CL86 HCT 116 C169(0.79)  LDD0797  [17]
 LDCM0481  CL87 HCT 116 C169(0.66)  LDD0798  [17]
 LDCM0482  CL88 HCT 116 C169(3.51)  LDD0799  [17]
 LDCM0483  CL89 HCT 116 C169(0.71)  LDD0800  [17]
 LDCM0484  CL9 HCT 116 C169(6.15)  LDD0801  [17]
 LDCM0485  CL90 HCT 116 C169(1.60)  LDD0802  [17]
 LDCM0486  CL91 HCT 116 C169(0.73)  LDD0803  [17]
 LDCM0487  CL92 HCT 116 C169(1.70)  LDD0804  [17]
 LDCM0488  CL93 HCT 116 C169(1.84)  LDD0805  [17]
 LDCM0489  CL94 HCT 116 C169(0.66)  LDD0806  [17]
 LDCM0490  CL95 HCT 116 C169(0.89)  LDD0807  [17]
 LDCM0491  CL96 HCT 116 C169(1.09)  LDD0808  [17]
 LDCM0492  CL97 HCT 116 C169(2.06)  LDD0809  [17]
 LDCM0493  CL98 HCT 116 C169(2.43)  LDD0810  [17]
 LDCM0494  CL99 HCT 116 C169(0.69)  LDD0811  [17]
 LDCM0185  Compound 17 HEK-293T 5.88  LDD0504  [31]
 LDCM0182  Compound 18 HEK-293T 5.13  LDD0501  [31]
 LDCM0184  Compound 20 HEK-293T 5.85  LDD0503  [31]
 LDCM0187  Compound 32 HEK-293T 18.57  LDD0507  [31]
 LDCM0183  Compound 42 HEK-293T 3.22  LDD0500  [31]
 LDCM0495  E2913 HEK-293T C386(0.85); C179(0.97); C169(0.98); C478(0.95)  LDD1698  [35]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C386(3.99)  LDD1702  [14]
 LDCM0468  Fragment33 HCT 116 C169(2.19); C179(2.57)  LDD0785  [17]
 LDCM0427  Fragment51 HCT 116 C169(1.78)  LDD0744  [17]
 LDCM0107  IAA HeLa N.A.  LDD0221  [27]
 LDCM0022  KB02 HCT 116 C319(20.00); C320(20.00)  LDD0080  [17]
 LDCM0023  KB03 HCT 116 C319(20.00); C320(20.00)  LDD0081  [17]
 LDCM0024  KB05 HCT 116 C319(5.91); C320(5.91)  LDD0082  [17]
 LDCM0109  NEM HeLa H67(0.00); H268(0.00); H157(0.00)  LDD0223  [27]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C386(0.89)  LDD2099  [14]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C386(0.57)  LDD2100  [14]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C386(0.94)  LDD2101  [14]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C386(0.72)  LDD2104  [14]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C386(1.37)  LDD2107  [14]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C386(0.78)  LDD2109  [14]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C386(0.88)  LDD2111  [14]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C386(0.84)  LDD2123  [14]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C386(0.79)  LDD2125  [14]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C386(1.26)  LDD2127  [14]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C386(0.85)  LDD2129  [14]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C386(0.50)  LDD2134  [14]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C386(0.79)  LDD2140  [14]
 LDCM0551  Nucleophilic fragment 5b MDA-MB-231 C386(0.34)  LDD2145  [14]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C386(0.83)  LDD2146  [14]
 LDCM0014  Panhematin HEK-293T 3.06  LDD0062  [16]
 LDCM0099  Phenelzine HEK-293T 5.56  LDD0282  [13]
 LDCM0016  Ranjitkar_cp1 MDA-MB-231 2.50  LDD0123  [15]
 LDCM0021  THZ1 HCT 116 C386(1.21)  LDD2173  [17]
 LDCM0008  Tranylcypromine HeLa 2.76  LDD0320  [5]

The Interaction Atlas With This Target

The Drug(s) Related To This Target

Approved
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Nadh Small molecular drug DB00157

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 Hydrazines as versatile chemical biology probes and drug-discovery tools for cofactor-dependent enzymes. bioRxiv, 2020-06.
3 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.
4 A Chemical Proteomic Analysis of Illudin-Interacting Proteins. Chemistry. 2019 Sep 25;25(54):12644-12651. doi: 10.1002/chem.201902919. Epub 2019 Sep 3.
Mass spectrometry data entry: PXD014175
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 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.
7 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.
8 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.
9 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.
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 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.
12 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.
13 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.
14 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
15 Appendage and Scaffold Diverse Fully Functionalized Small-Molecule Probes via a Minimalist Terminal Alkyne-Aliphatic Diazirine Isocyanide. J Org Chem. 2018 Sep 21;83(18):11245-11253. doi: 10.1021/acs.joc.8b01831. Epub 2018 Aug 31.
16 A Chemical Proteomic Map of Heme-Protein Interactions. J Am Chem Soc. 2022 Aug 24;144(33):15013-15019. doi: 10.1021/jacs.2c06104. Epub 2022 Aug 12.
Mass spectrometry data entry: PXD034651
17 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.
18 Global profiling of functional histidines in live cells using small-molecule photosensitizer and chemical probe relay labelling. Nat Chem. 2024 Jun 4. doi: 10.1038/s41557-024-01545-6. Online ahead of print.
Mass spectrometry data entry: PXD042377
19 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.
20 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
21 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
22 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.
23 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
24 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
25 Chemoproteomic Profiling by Cysteine Fluoroalkylation Reveals Myrocin G as an Inhibitor of the Nonhomologous End Joining DNA Repair Pathway. J Am Chem Soc. 2021 Dec 8;143(48):20332-20342. doi: 10.1021/jacs.1c09724. Epub 2021 Nov 24.
Mass spectrometry data entry: PXD029255
26 DFT-Guided Discovery of Ethynyl-Triazolyl-Phosphinates as Modular Electrophiles for Chemoselective Cysteine Bioconjugation and Profiling. Angew Chem Int Ed Engl. 2022 Oct 10;61(41):e202205348. doi: 10.1002/anie.202205348. Epub 2022 Aug 22.
Mass spectrometry data entry: PXD033004
27 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.
28 Chemoproteomic profiling of targets of lipid-derived electrophiles by bioorthogonal aminooxy probe. Redox Biol. 2017 Aug;12:712-718. doi: 10.1016/j.redox.2017.04.001. Epub 2017 Apr 5.
29 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.
30 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
31 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.
32 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.
33 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.
34 Mapping Protein Targets of Bioactive Small Molecules Using Lipid-Based Chemical Proteomics. ACS Chem Biol. 2017 Oct 20;12(10):2671-2681. doi: 10.1021/acschembio.7b00581. Epub 2017 Sep 20.
Mass spectrometry data entry: PXD007570
35 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