Details of the Target

General Information of Target

Target ID LDTP04232
Target Name 4-trimethylaminobutyraldehyde dehydrogenase (ALDH9A1)
Gene Name ALDH9A1
Gene ID 223
Synonyms
ALDH4; ALDH7; ALDH9; 4-trimethylaminobutyraldehyde dehydrogenase; TMABA-DH; TMABALDH; EC 1.2.1.47; Aldehyde dehydrogenase E3 isozyme; Aldehyde dehydrogenase family 9 member A1; EC 1.2.1.3; Formaldehyde dehydrogenase; EC 1.2.1.46; Gamma-aminobutyraldehyde dehydrogenase; EC 1.2.1.19; R-aminobutyraldehyde dehydrogenase) [Cleaved into: 4-trimethylaminobutyraldehyde dehydrogenase, N-terminally processed]
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MSTGTFVVSQPLNYRGGARVEPADASGTEKAFEPATGRVIATFTCSGEKEVNLAVQNAKA
AFKIWSQKSGMERCRILLEAARIIREREDEIATMECINNGKSIFEARLDIDISWQCLEYY
AGLAASMAGEHIQLPGGSFGYTRREPLGVCVGIGAWNYPFQIASWKSAPALACGNAMVFK
PSPFTPVSALLLAEIYSEAGVPPGLFNVVQGGAATGQFLCQHPDVAKVSFTGSVPTGMKI
MEMSAKGIKPVTLELGGKSPLIIFSDCDMNNAVKGALMANFLTQGQVCCNGTRVFVQKEI
LDKFTEEVVKQTQRIKIGDPLLEDTRMGPLINRPHLERVLGFVKVAKEQGAKVLCGGDIY
VPEDPKLKDGYYMRPCVLTNCRDDMTCVKEEIFGPVMSILSFDTEAEVLERANDTTFGLA
AGVFTRDIQRAHRVVAELQAGTCFINNYNVSPVELPFGGYKKSGFGRENGRVTIEYYSQL
KTVCVEMGDVESAF
Target Bioclass
Enzyme
Family
Aldehyde dehydrogenase family
Subcellular location
Cytoplasm, cytosol
Function
Converts gamma-trimethylaminobutyraldehyde into gamma-butyrobetaine with high efficiency (in vitro). Can catalyze the irreversible oxidation of a broad range of aldehydes to the corresponding acids in an NAD-dependent reaction, but with low efficiency. Catalyzes the oxidation of aldehydes arising from biogenic amines and polyamines.
Uniprot ID
P49189
Ensemble ID
ENST00000354775.5
HGNC ID
HGNC:412
ChEMBL ID
CHEMBL2542

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 34 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
Alkylaryl probe 1
 Probe Info  		12.00  LDD0385  [1]
CY-1
 Probe Info  		100.00  LDD0243  [2]
D3
 Probe Info  		7.61  LDD0325  [3]
N1
 Probe Info  		100.00  LDD0242  [2]
TH211
 Probe Info  		Y476(8.03)  LDD0257  [4]
YN-1
 Probe Info  		100.00  LDD0444  [5]
BTD
 Probe Info  		C387(4.00); C45(5.29)  LDD1699  [6]
ONAyne
 Probe Info  		K249(9.58)  LDD0275  [7]
m-APA
 Probe Info  		11.64  LDD0403  [8]
Alkylaryl probe 3
 Probe Info  		7.29  LDD0282  [9]
Sulforaphane-probe2
 Probe Info  		6.30  LDD0042  [10]
Johansson_61
 Probe Info  		_(7.57)  LDD1485  [11]
HHS-475
 Probe Info  		Y360(0.70)  LDD0264  [12]
BDBM50514113
 Probe Info  		3.55  LDD0041  [13]
DBIA
 Probe Info  		C288(1.17); C289(1.17)  LDD0078  [14]
ATP probe
 Probe Info  		K30(0.00); K59(0.00); K63(0.00); K344(0.00)  LDD0199  [15]
IA-alkyne
 Probe Info  		C355(0.00); C484(0.00); C376(0.00); C288(0.00)  LDD0032  [16]
IPIAA_H
 Probe Info  		N.A.  LDD0030  [17]
IPIAA_L
 Probe Info  		C355(0.00); C96(0.00); C443(0.00)  LDD0031  [17]
NAIA_4
 Probe Info  		N.A.  LDD2226  [18]
TFBX
 Probe Info  		N.A.  LDD0027  [19]
WYneN
 Probe Info  		N.A.  LDD0021  [20]
WYneO
 Probe Info  		C387(0.00); C355(0.00)  LDD0022  [20]
IPM
 Probe Info  		N.A.  LDD0005  [20]
NHS
 Probe Info  		K30(0.00); K68(0.00); K316(0.00)  LDD0010  [20]
PF-06672131
 Probe Info  		N.A.  LDD0152  [21]
SF
 Probe Info  		Y477(0.00); Y476(0.00); Y360(0.00)  LDD0028  [22]
STPyne
 Probe Info  		N.A.  LDD0009  [20]
Acrolein
 Probe Info  		C355(0.00); C96(0.00); C267(0.00); C484(0.00)  LDD0217  [23]
Crotonaldehyde
 Probe Info  		N.A.  LDD0219  [23]
Methacrolein
 Probe Info  		N.A.  LDD0218  [23]
AOyne
 Probe Info  		8.40  LDD0443  [24]
NAIA_5
 Probe Info  		C267(0.00); C45(0.00); C355(0.00)  LDD2223  [18]
HHS-465
 Probe Info  		K366(0.00); Y360(0.00)  LDD2240  [25]
PAL-AfBPP Probe
Click To Hide/Show 5 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
FFF probe3
 Probe Info  		13.68  LDD0465  [26]
STS-1
 Probe Info  		N.A.  LDD0136  [27]
STS-2
 Probe Info  		N.A.  LDD0138  [27]
VE-P
 Probe Info  		N.A.  LDD0396  [28]
DA-2
 Probe Info  		N.A.  LDD0072  [29]

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 C45(0.61)  LDD2142  [6]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C45(0.60)  LDD2112  [6]
 LDCM0502  1-(Cyanoacetyl)piperidine MDA-MB-231 C45(0.71)  LDD2095  [6]
 LDCM0537  2-Cyano-N,N-dimethylacetamide MDA-MB-231 C45(0.89)  LDD2130  [6]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C45(1.06)  LDD2117  [6]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C45(1.09)  LDD2152  [6]
 LDCM0510  3-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-3-oxopropanenitrile MDA-MB-231 C45(1.01); C376(1.03)  LDD2103  [6]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C45(0.55); C267(0.54)  LDD2132  [6]
 LDCM0538  4-(Cyanoacetyl)morpholine MDA-MB-231 C45(0.69)  LDD2131  [6]
 LDCM0026  4SU-RNA+native RNA HEK-293T C96(3.94); C267(2.14)  LDD0372  [30]
 LDCM0214  AC1 HCT 116 C288(0.67)  LDD0531  [14]
 LDCM0215  AC10 HCT 116 C288(0.74); C289(0.95)  LDD0532  [14]
 LDCM0216  AC100 HCT 116 C288(0.83); C289(0.97); C355(0.94)  LDD0533  [14]
 LDCM0217  AC101 HCT 116 C288(1.01); C289(1.16); C355(1.02)  LDD0534  [14]
 LDCM0218  AC102 HCT 116 C288(0.77); C289(0.96); C355(0.86)  LDD0535  [14]
 LDCM0219  AC103 HCT 116 C288(0.86); C289(0.87); C355(0.89)  LDD0536  [14]
 LDCM0220  AC104 HCT 116 C288(0.92); C289(0.99); C355(0.83)  LDD0537  [14]
 LDCM0221  AC105 HCT 116 C288(0.84); C289(0.93); C355(0.86)  LDD0538  [14]
 LDCM0222  AC106 HCT 116 C288(0.75); C289(0.90); C355(0.91)  LDD0539  [14]
 LDCM0223  AC107 HCT 116 C288(0.89); C289(0.77); C355(0.85)  LDD0540  [14]
 LDCM0224  AC108 HCT 116 C288(0.70); C289(1.34); C355(0.78)  LDD0541  [14]
 LDCM0225  AC109 HCT 116 C288(0.73); C289(1.11); C355(0.97)  LDD0542  [14]
 LDCM0226  AC11 HCT 116 C288(0.80); C289(0.99)  LDD0543  [14]
 LDCM0227  AC110 HCT 116 C288(0.82); C289(1.14); C355(0.78)  LDD0544  [14]
 LDCM0228  AC111 HCT 116 C288(0.92); C289(0.93); C355(0.86)  LDD0545  [14]
 LDCM0229  AC112 HCT 116 C288(0.99); C289(1.09); C355(0.93)  LDD0546  [14]
 LDCM0230  AC113 HCT 116 C288(0.97); C289(0.95)  LDD0547  [14]
 LDCM0231  AC114 HCT 116 C288(0.99); C289(0.83)  LDD0548  [14]
 LDCM0232  AC115 HCT 116 C288(0.90); C289(0.73)  LDD0549  [14]
 LDCM0233  AC116 HCT 116 C288(0.84); C289(0.70)  LDD0550  [14]
 LDCM0234  AC117 HCT 116 C288(0.86); C289(0.62)  LDD0551  [14]
 LDCM0235  AC118 HCT 116 C288(0.89); C289(0.63)  LDD0552  [14]
 LDCM0236  AC119 HCT 116 C288(0.81); C289(0.77)  LDD0553  [14]
 LDCM0237  AC12 HCT 116 C288(0.90); C289(1.07)  LDD0554  [14]
 LDCM0238  AC120 HCT 116 C288(1.33); C289(0.81)  LDD0555  [14]
 LDCM0239  AC121 HCT 116 C288(0.93); C289(0.75)  LDD0556  [14]
 LDCM0240  AC122 HCT 116 C288(0.90); C289(0.64)  LDD0557  [14]
 LDCM0241  AC123 HCT 116 C288(1.11); C289(0.60)  LDD0558  [14]
 LDCM0242  AC124 HCT 116 C288(0.88); C289(0.78)  LDD0559  [14]
 LDCM0243  AC125 HCT 116 C288(0.94); C289(0.81)  LDD0560  [14]
 LDCM0244  AC126 HCT 116 C288(0.89); C289(0.79)  LDD0561  [14]
 LDCM0245  AC127 HCT 116 C288(0.85); C289(0.75)  LDD0562  [14]
 LDCM0246  AC128 HCT 116 C288(1.40); C289(1.19)  LDD0563  [14]
 LDCM0247  AC129 HCT 116 C288(1.14); C289(0.91)  LDD0564  [14]
 LDCM0249  AC130 HCT 116 C288(1.20); C289(0.91)  LDD0566  [14]
 LDCM0250  AC131 HCT 116 C288(1.69); C289(1.62)  LDD0567  [14]
 LDCM0251  AC132 HCT 116 C288(1.13); C289(0.97)  LDD0568  [14]
 LDCM0252  AC133 HCT 116 C288(1.21); C289(1.08)  LDD0569  [14]
 LDCM0253  AC134 HCT 116 C288(1.67); C289(1.26)  LDD0570  [14]
 LDCM0254  AC135 HCT 116 C288(1.24); C289(1.01)  LDD0571  [14]
 LDCM0255  AC136 HCT 116 C288(1.28); C289(0.99)  LDD0572  [14]
 LDCM0256  AC137 HCT 116 C288(1.17); C289(1.01)  LDD0573  [14]
 LDCM0257  AC138 HCT 116 C288(1.57); C289(1.19)  LDD0574  [14]
 LDCM0258  AC139 HCT 116 C288(1.28); C289(1.16)  LDD0575  [14]
 LDCM0259  AC14 HCT 116 C288(1.19); C289(1.26)  LDD0576  [14]
 LDCM0260  AC140 HCT 116 C288(1.68); C289(1.28)  LDD0577  [14]
 LDCM0261  AC141 HCT 116 C288(1.57); C289(1.24)  LDD0578  [14]
 LDCM0262  AC142 HCT 116 C288(1.23); C289(1.16)  LDD0579  [14]
 LDCM0263  AC143 HCT 116 C288(0.89); C289(0.80); C355(1.03)  LDD0580  [14]
 LDCM0264  AC144 HCT 116 C355(0.97); C289(1.00); C288(1.05)  LDD0581  [14]
 LDCM0265  AC145 HCT 116 C289(0.91); C288(1.00); C355(1.40)  LDD0582  [14]
 LDCM0266  AC146 HCT 116 C355(0.83); C289(0.94); C288(0.96)  LDD0583  [14]
 LDCM0267  AC147 HCT 116 C289(0.89); C288(0.90); C355(1.00)  LDD0584  [14]
 LDCM0268  AC148 HCT 116 C289(0.79); C288(0.83); C355(1.65)  LDD0585  [14]
 LDCM0269  AC149 HCT 116 C288(0.84); C289(0.87); C355(1.18)  LDD0586  [14]
 LDCM0270  AC15 HCT 116 C289(1.04); C288(1.05)  LDD0587  [14]
 LDCM0271  AC150 HCT 116 C289(0.81); C288(0.87); C355(0.93)  LDD0588  [14]
 LDCM0272  AC151 HCT 116 C355(0.92); C288(0.98); C289(1.03)  LDD0589  [14]
 LDCM0273  AC152 HCT 116 C355(0.85); C289(1.00); C288(1.04)  LDD0590  [14]
 LDCM0274  AC153 HCT 116 C288(0.74); C289(0.77); C355(1.55)  LDD0591  [14]
 LDCM0621  AC154 HCT 116 C288(0.88); C289(0.90); C355(1.13)  LDD2158  [14]
 LDCM0622  AC155 HCT 116 C288(0.90); C289(0.86); C355(1.05)  LDD2159  [14]
 LDCM0623  AC156 HCT 116 C288(0.99); C289(1.02); C355(0.86)  LDD2160  [14]
 LDCM0624  AC157 HCT 116 C288(1.30); C289(1.28); C355(1.12)  LDD2161  [14]
 LDCM0276  AC17 HCT 116 C289(1.39); C288(1.90)  LDD0593  [14]
 LDCM0277  AC18 HCT 116 C289(0.84); C288(0.92)  LDD0594  [14]
 LDCM0278  AC19 HCT 116 C289(1.30); C288(1.77)  LDD0595  [14]
 LDCM0279  AC2 HCT 116 C288(0.97)  LDD0596  [14]
 LDCM0280  AC20 HCT 116 C289(1.19); C288(1.52)  LDD0597  [14]
 LDCM0281  AC21 HCT 116 C289(1.07); C288(1.14)  LDD0598  [14]
 LDCM0282  AC22 HCT 116 C289(0.96); C288(1.23)  LDD0599  [14]
 LDCM0283  AC23 HCT 116 C289(1.25); C288(1.42)  LDD0600  [14]
 LDCM0284  AC24 HCT 116 C289(1.44); C288(1.87)  LDD0601  [14]
 LDCM0285  AC25 HCT 116 C289(0.87); C288(1.10)  LDD0602  [14]
 LDCM0286  AC26 HCT 116 C289(0.88); C288(1.08)  LDD0603  [14]
 LDCM0287  AC27 HCT 116 C289(0.84); C288(0.89)  LDD0604  [14]
 LDCM0288  AC28 HCT 116 C289(0.70); C288(0.97)  LDD0605  [14]
 LDCM0289  AC29 HCT 116 C289(1.18); C288(1.24)  LDD0606  [14]
 LDCM0290  AC3 HCT 116 C288(0.62)  LDD0607  [14]
 LDCM0291  AC30 HCT 116 C288(1.06); C289(1.12)  LDD0608  [14]
 LDCM0292  AC31 HCT 116 C288(0.99); C289(1.02)  LDD0609  [14]
 LDCM0293  AC32 HCT 116 C289(0.92); C288(0.98)  LDD0610  [14]
 LDCM0294  AC33 HCT 116 C289(0.93); C288(1.08)  LDD0611  [14]
 LDCM0295  AC34 HCT 116 C289(1.00); C288(1.14)  LDD0612  [14]
 LDCM0296  AC35 HCT 116 C288(0.89); C289(0.91)  LDD0613  [14]
 LDCM0297  AC36 HCT 116 C289(0.97); C288(0.98)  LDD0614  [14]
 LDCM0298  AC37 HCT 116 C288(0.97); C289(1.01)  LDD0615  [14]
 LDCM0299  AC38 HCT 116 C288(1.01); C289(1.05)  LDD0616  [14]
 LDCM0300  AC39 HCT 116 C289(0.68); C288(0.77)  LDD0617  [14]
 LDCM0301  AC4 HCT 116 C288(0.55)  LDD0618  [14]
 LDCM0302  AC40 HCT 116 C289(0.68); C288(0.83)  LDD0619  [14]
 LDCM0303  AC41 HCT 116 C289(0.76); C288(1.03)  LDD0620  [14]
 LDCM0304  AC42 HCT 116 C289(0.91); C288(1.05)  LDD0621  [14]
 LDCM0305  AC43 HCT 116 C289(0.82); C288(0.91)  LDD0622  [14]
 LDCM0306  AC44 HCT 116 C289(0.74); C288(0.91)  LDD0623  [14]
 LDCM0307  AC45 HCT 116 C289(0.77); C288(0.84)  LDD0624  [14]
 LDCM0308  AC46 HCT 116 C288(0.98); C289(1.09)  LDD0625  [14]
 LDCM0309  AC47 HCT 116 C288(0.86); C289(0.87)  LDD0626  [14]
 LDCM0310  AC48 HCT 116 C288(0.87); C289(1.03)  LDD0627  [14]
 LDCM0311  AC49 HCT 116 C289(0.63); C288(0.87)  LDD0628  [14]
 LDCM0312  AC5 HCT 116 C288(0.51)  LDD0629  [14]
 LDCM0313  AC50 HCT 116 C289(0.82); C288(1.10)  LDD0630  [14]
 LDCM0314  AC51 HCT 116 C288(1.23); C289(1.31)  LDD0631  [14]
 LDCM0315  AC52 HCT 116 C289(0.91); C288(0.98)  LDD0632  [14]
 LDCM0316  AC53 HCT 116 C289(0.87); C288(0.93)  LDD0633  [14]
 LDCM0317  AC54 HCT 116 C289(0.84); C288(0.92)  LDD0634  [14]
 LDCM0318  AC55 HCT 116 C289(0.76); C288(0.85)  LDD0635  [14]
 LDCM0319  AC56 HCT 116 C289(0.56); C288(0.92)  LDD0636  [14]
 LDCM0320  AC57 HCT 116 C289(0.75); C288(0.81)  LDD0637  [14]
 LDCM0321  AC58 HCT 116 C289(0.81); C288(0.88)  LDD0638  [14]
 LDCM0322  AC59 HCT 116 C289(0.67); C288(0.71)  LDD0639  [14]
 LDCM0323  AC6 HCT 116 C288(0.84); C289(1.00)  LDD0640  [14]
 LDCM0324  AC60 HCT 116 C288(0.87); C289(0.89)  LDD0641  [14]
 LDCM0325  AC61 HCT 116 C288(0.81); C289(0.82)  LDD0642  [14]
 LDCM0326  AC62 HCT 116 C289(0.67); C288(0.75)  LDD0643  [14]
 LDCM0327  AC63 HCT 116 C288(0.82); C289(0.83)  LDD0644  [14]
 LDCM0328  AC64 HCT 116 C289(0.68); C288(0.70)  LDD0645  [14]
 LDCM0329  AC65 HCT 116 C289(0.69); C288(0.69)  LDD0646  [14]
 LDCM0330  AC66 HCT 116 C289(0.81); C288(0.85)  LDD0647  [14]
 LDCM0331  AC67 HCT 116 C289(0.53); C288(0.60)  LDD0648  [14]
 LDCM0332  AC68 HCT 116 C288(0.87); C289(0.98)  LDD0649  [14]
 LDCM0333  AC69 HCT 116 C288(1.08); C289(1.24)  LDD0650  [14]
 LDCM0334  AC7 HCT 116 C288(0.86); C289(1.00)  LDD0651  [14]
 LDCM0335  AC70 HCT 116 C288(0.69); C289(0.73)  LDD0652  [14]
 LDCM0336  AC71 HCT 116 C288(1.02); C289(1.06)  LDD0653  [14]
 LDCM0337  AC72 HCT 116 C288(1.11); C289(1.28)  LDD0654  [14]
 LDCM0338  AC73 HCT 116 C288(0.77); C289(0.81)  LDD0655  [14]
 LDCM0339  AC74 HCT 116 C288(0.79); C289(0.86)  LDD0656  [14]
 LDCM0340  AC75 HCT 116 C289(0.72); C288(0.78)  LDD0657  [14]
 LDCM0341  AC76 HCT 116 C288(0.81); C289(0.84)  LDD0658  [14]
 LDCM0342  AC77 HCT 116 C288(0.98); C289(0.99)  LDD0659  [14]
 LDCM0343  AC78 HCT 116 C288(1.12); C289(1.25)  LDD0660  [14]
 LDCM0344  AC79 HCT 116 C288(1.02); C289(1.11)  LDD0661  [14]
 LDCM0345  AC8 HCT 116 C288(0.85); C289(0.91)  LDD0662  [14]
 LDCM0346  AC80 HCT 116 C288(0.93); C289(1.03)  LDD0663  [14]
 LDCM0347  AC81 HCT 116 C288(1.05); C289(1.30)  LDD0664  [14]
 LDCM0348  AC82 HCT 116 C289(0.51); C288(0.73)  LDD0665  [14]
 LDCM0349  AC83 HCT 116 C289(0.73); C288(0.82)  LDD0666  [14]
 LDCM0350  AC84 HCT 116 C288(0.87); C289(0.98)  LDD0667  [14]
 LDCM0351  AC85 HCT 116 C288(1.05); C289(1.13)  LDD0668  [14]
 LDCM0352  AC86 HCT 116 C289(0.72); C288(1.07)  LDD0669  [14]
 LDCM0353  AC87 HCT 116 C289(0.87); C288(0.96)  LDD0670  [14]
 LDCM0354  AC88 HCT 116 C289(0.78); C288(0.87)  LDD0671  [14]
 LDCM0355  AC89 HCT 116 C288(0.93); C289(0.96)  LDD0672  [14]
 LDCM0357  AC90 HCT 116 C288(0.47); C289(0.66)  LDD0674  [14]
 LDCM0358  AC91 HCT 116 C289(0.82); C288(0.90)  LDD0675  [14]
 LDCM0359  AC92 HCT 116 C288(0.70); C289(0.81)  LDD0676  [14]
 LDCM0360  AC93 HCT 116 C289(0.56); C288(0.70)  LDD0677  [14]
 LDCM0361  AC94 HCT 116 C289(0.62); C288(1.32)  LDD0678  [14]
 LDCM0362  AC95 HCT 116 C289(0.71); C288(1.47)  LDD0679  [14]
 LDCM0363  AC96 HCT 116 C289(0.77); C288(1.03)  LDD0680  [14]
 LDCM0364  AC97 HCT 116 C289(0.76); C288(1.16)  LDD0681  [14]
 LDCM0365  AC98 HCT 116 C289(0.63); C355(0.86); C288(0.90)  LDD0682  [14]
 LDCM0366  AC99 HCT 116 C355(0.74); C288(0.80); C289(0.97)  LDD0683  [14]
 LDCM0545  Acetamide MDA-MB-231 C45(0.58); C96(0.52); C74(0.60)  LDD2138  [6]
 LDCM0520  AKOS000195272 MDA-MB-231 C45(0.67); C173(0.78); C387(0.81)  LDD2113  [6]
 LDCM0248  AKOS034007472 HCT 116 C288(0.77); C289(0.93)  LDD0565  [14]
 LDCM0356  AKOS034007680 HCT 116 C288(0.86); C289(1.05)  LDD0673  [14]
 LDCM0275  AKOS034007705 HCT 116 C288(0.85); C289(0.97)  LDD0592  [14]
 LDCM0156  Aniline NCI-H1299 11.64  LDD0403  [8]
 LDCM0020  ARS-1620 HCC44 C288(1.17); C289(1.17)  LDD0078  [14]
 LDCM0498  BS-3668 MDA-MB-231 C45(0.68); C74(0.45); C267(1.08)  LDD2091  [6]
 LDCM0108  Chloroacetamide HeLa C45(0.00); C355(0.00); C484(0.00); C96(0.00)  LDD0222  [23]
 LDCM0367  CL1 HCT 116 C355(0.95); C288(1.07); C289(1.08)  LDD0684  [14]
 LDCM0368  CL10 HCT 116 C289(0.67); C355(0.99); C288(1.24)  LDD0685  [14]
 LDCM0369  CL100 HCT 116 C288(0.74)  LDD0686  [14]
 LDCM0370  CL101 HCT 116 C289(1.47); C288(1.51)  LDD0687  [14]
 LDCM0371  CL102 HCT 116 C289(1.48); C288(1.63)  LDD0688  [14]
 LDCM0372  CL103 HCT 116 C289(1.84); C288(1.91)  LDD0689  [14]
 LDCM0373  CL104 HCT 116 C289(1.39); C288(2.12)  LDD0690  [14]
 LDCM0374  CL105 HCT 116 C289(1.03); C288(1.40)  LDD0691  [14]
 LDCM0375  CL106 HCT 116 C289(0.97); C288(1.50)  LDD0692  [14]
 LDCM0376  CL107 HCT 116 C289(0.77); C288(0.86)  LDD0693  [14]
 LDCM0377  CL108 HCT 116 C289(0.72); C288(1.01)  LDD0694  [14]
 LDCM0378  CL109 HCT 116 C289(1.10); C288(1.67)  LDD0695  [14]
 LDCM0379  CL11 HCT 116 C355(0.84); C289(1.08); C288(1.42)  LDD0696  [14]
 LDCM0380  CL110 HCT 116 C289(1.39); C288(2.13)  LDD0697  [14]
 LDCM0381  CL111 HCT 116 C289(1.61); C288(4.04)  LDD0698  [14]
 LDCM0382  CL112 HCT 116 C289(0.83); C288(1.38)  LDD0699  [14]
 LDCM0383  CL113 HCT 116 C289(0.93); C288(1.32)  LDD0700  [14]
 LDCM0384  CL114 HCT 116 C289(1.32); C288(3.34)  LDD0701  [14]
 LDCM0385  CL115 HCT 116 C289(0.93); C288(1.40)  LDD0702  [14]
 LDCM0386  CL116 HCT 116 C289(0.83); C288(0.91)  LDD0703  [14]
 LDCM0387  CL117 HCT 116 C289(0.54); C288(0.94)  LDD0704  [14]
 LDCM0388  CL118 HCT 116 C289(0.97); C288(1.01)  LDD0705  [14]
 LDCM0389  CL119 HCT 116 C289(0.84); C288(0.91)  LDD0706  [14]
 LDCM0390  CL12 HCT 116 C355(0.83); C288(1.43); C289(1.52)  LDD0707  [14]
 LDCM0391  CL120 HCT 116 C289(0.84); C288(0.91)  LDD0708  [14]
 LDCM0392  CL121 HCT 116 C288(3.34); C289(3.42)  LDD0709  [14]
 LDCM0393  CL122 HCT 116 C289(1.66); C288(2.03)  LDD0710  [14]
 LDCM0394  CL123 HCT 116 C288(1.84); C289(2.03)  LDD0711  [14]
 LDCM0395  CL124 HCT 116 C289(2.43); C288(3.22)  LDD0712  [14]
 LDCM0396  CL125 HCT 116 C289(1.12); C288(2.18)  LDD0713  [14]
 LDCM0397  CL126 HCT 116 C288(0.98); C289(0.99)  LDD0714  [14]
 LDCM0398  CL127 HCT 116 C288(1.11); C289(1.12)  LDD0715  [14]
 LDCM0399  CL128 HCT 116 C289(0.91); C288(0.92)  LDD0716  [14]
 LDCM0400  CL13 HCT 116 C355(1.20); C288(1.26); C289(1.46)  LDD0717  [14]
 LDCM0401  CL14 HCT 116 C355(1.04); C288(1.85); C289(1.87)  LDD0718  [14]
 LDCM0402  CL15 HCT 116 C355(1.10); C288(2.66); C289(3.58)  LDD0719  [14]
 LDCM0403  CL16 HCT 116 C289(0.70); C288(0.94)  LDD0720  [14]
 LDCM0404  CL17 HCT 116 C289(1.10); C288(3.25)  LDD0721  [14]
 LDCM0405  CL18 HCT 116 C289(1.04); C288(1.36)  LDD0722  [14]
 LDCM0406  CL19 HCT 116 C289(1.04); C288(2.63)  LDD0723  [14]
 LDCM0407  CL2 HCT 116 C355(0.93); C289(1.02); C288(1.11)  LDD0724  [14]
 LDCM0408  CL20 HCT 116 C289(0.92); C288(1.11)  LDD0725  [14]
 LDCM0409  CL21 HCT 116 C289(1.21); C288(1.23)  LDD0726  [14]
 LDCM0410  CL22 HCT 116 C289(1.08); C288(1.47)  LDD0727  [14]
 LDCM0411  CL23 HCT 116 C289(0.82); C288(1.11)  LDD0728  [14]
 LDCM0412  CL24 HCT 116 C289(0.85); C288(1.01)  LDD0729  [14]
 LDCM0413  CL25 HCT 116 C288(0.83); C289(0.77)  LDD0730  [14]
 LDCM0414  CL26 HCT 116 C288(1.35); C289(0.96)  LDD0731  [14]
 LDCM0415  CL27 HCT 116 C288(0.82); C289(0.86)  LDD0732  [14]
 LDCM0416  CL28 HCT 116 C288(1.09); C289(0.98)  LDD0733  [14]
 LDCM0417  CL29 HCT 116 C288(0.88); C289(0.83)  LDD0734  [14]
 LDCM0418  CL3 HCT 116 C288(1.02); C289(0.85); C355(0.93)  LDD0735  [14]
 LDCM0419  CL30 HCT 116 C288(1.03); C289(0.87)  LDD0736  [14]
 LDCM0420  CL31 HCT 116 C288(1.19); C289(1.13); C355(1.29)  LDD0737  [14]
 LDCM0421  CL32 HCT 116 C288(1.33); C289(1.33); C355(1.11)  LDD0738  [14]
 LDCM0422  CL33 HCT 116 C288(1.39); C289(1.07); C355(1.18)  LDD0739  [14]
 LDCM0423  CL34 HCT 116 C288(1.35); C289(0.77); C355(1.40)  LDD0740  [14]
 LDCM0424  CL35 HCT 116 C288(6.02); C289(1.32); C355(1.45)  LDD0741  [14]
 LDCM0425  CL36 HCT 116 C288(1.98); C289(1.11); C355(1.13)  LDD0742  [14]
 LDCM0426  CL37 HCT 116 C288(1.87); C289(0.93); C355(1.46)  LDD0743  [14]
 LDCM0428  CL39 HCT 116 C288(2.34); C289(1.60); C355(1.20)  LDD0745  [14]
 LDCM0429  CL4 HCT 116 C288(1.13); C289(1.09); C355(1.09)  LDD0746  [14]
 LDCM0430  CL40 HCT 116 C288(1.36); C289(1.36); C355(1.15)  LDD0747  [14]
 LDCM0431  CL41 HCT 116 C288(2.77); C289(1.37); C355(1.18)  LDD0748  [14]
 LDCM0432  CL42 HCT 116 C288(5.79); C289(1.36); C355(0.14)  LDD0749  [14]
 LDCM0433  CL43 HCT 116 C288(2.24); C289(1.12); C355(1.29)  LDD0750  [14]
 LDCM0434  CL44 HCT 116 C288(3.05); C289(1.17); C355(1.37)  LDD0751  [14]
 LDCM0435  CL45 HCT 116 C288(2.72); C289(1.15); C355(1.34)  LDD0752  [14]
 LDCM0436  CL46 HCT 116 C288(1.08); C289(1.29)  LDD0753  [14]
 LDCM0437  CL47 HCT 116 C288(2.02); C289(1.04)  LDD0754  [14]
 LDCM0438  CL48 HCT 116 C288(1.33); C289(0.96)  LDD0755  [14]
 LDCM0439  CL49 HCT 116 C288(1.83); C289(0.92)  LDD0756  [14]
 LDCM0440  CL5 HCT 116 C288(1.98); C289(0.93); C355(1.33)  LDD0757  [14]
 LDCM0441  CL50 HCT 116 C288(1.98); C289(1.04)  LDD0758  [14]
 LDCM0442  CL51 HCT 116 C288(3.00); C289(1.02)  LDD0759  [14]
 LDCM0443  CL52 HCT 116 C288(1.29); C289(1.83)  LDD0760  [14]
 LDCM0444  CL53 HCT 116 C288(2.07); C289(1.12)  LDD0761  [14]
 LDCM0445  CL54 HCT 116 C288(2.21); C289(1.41)  LDD0762  [14]
 LDCM0446  CL55 HCT 116 C288(1.57); C289(1.23)  LDD0763  [14]
 LDCM0447  CL56 HCT 116 C288(1.28); C289(1.04)  LDD0764  [14]
 LDCM0448  CL57 HCT 116 C288(1.42); C289(1.12)  LDD0765  [14]
 LDCM0449  CL58 HCT 116 C288(1.47); C289(1.47)  LDD0766  [14]
 LDCM0450  CL59 HCT 116 C288(1.03); C289(0.90)  LDD0767  [14]
 LDCM0451  CL6 HCT 116 C288(1.03); C289(0.78); C355(1.14)  LDD0768  [14]
 LDCM0452  CL60 HCT 116 C288(1.85); C289(1.24)  LDD0769  [14]
 LDCM0453  CL61 HCT 116 C288(0.94)  LDD0770  [14]
 LDCM0454  CL62 HCT 116 C288(0.86)  LDD0771  [14]
 LDCM0455  CL63 HCT 116 C288(1.41)  LDD0772  [14]
 LDCM0456  CL64 HCT 116 C288(1.69)  LDD0773  [14]
 LDCM0457  CL65 HCT 116 C288(1.04)  LDD0774  [14]
 LDCM0458  CL66 HCT 116 C288(0.85)  LDD0775  [14]
 LDCM0459  CL67 HCT 116 C288(1.09)  LDD0776  [14]
 LDCM0460  CL68 HCT 116 C288(1.18)  LDD0777  [14]
 LDCM0461  CL69 HCT 116 C288(1.22)  LDD0778  [14]
 LDCM0462  CL7 HCT 116 C288(0.83); C289(0.76); C355(1.11)  LDD0779  [14]
 LDCM0463  CL70 HCT 116 C288(2.18)  LDD0780  [14]
 LDCM0464  CL71 HCT 116 C288(0.92)  LDD0781  [14]
 LDCM0465  CL72 HCT 116 C288(0.77)  LDD0782  [14]
 LDCM0466  CL73 HCT 116 C288(3.05)  LDD0783  [14]
 LDCM0467  CL74 HCT 116 C288(1.83)  LDD0784  [14]
 LDCM0469  CL76 HCT 116 C288(1.32); C289(1.21)  LDD0786  [14]
 LDCM0470  CL77 HCT 116 C288(7.11); C289(2.06)  LDD0787  [14]
 LDCM0471  CL78 HCT 116 C288(2.05); C289(1.10)  LDD0788  [14]
 LDCM0472  CL79 HCT 116 C288(1.30); C289(1.16)  LDD0789  [14]
 LDCM0473  CL8 HCT 116 C288(0.71); C289(0.40); C355(0.74)  LDD0790  [14]
 LDCM0474  CL80 HCT 116 C288(1.44); C289(1.10)  LDD0791  [14]
 LDCM0475  CL81 HCT 116 C288(1.23); C289(1.10)  LDD0792  [14]
 LDCM0476  CL82 HCT 116 C288(1.36); C289(1.37)  LDD0793  [14]
 LDCM0477  CL83 HCT 116 C288(1.28); C289(1.25)  LDD0794  [14]
 LDCM0478  CL84 HCT 116 C288(1.24); C289(1.06)  LDD0795  [14]
 LDCM0479  CL85 HCT 116 C288(1.29); C289(1.27)  LDD0796  [14]
 LDCM0480  CL86 HCT 116 C288(1.44); C289(1.20)  LDD0797  [14]
 LDCM0481  CL87 HCT 116 C288(0.97); C289(1.27)  LDD0798  [14]
 LDCM0482  CL88 HCT 116 C288(1.30); C289(1.54)  LDD0799  [14]
 LDCM0483  CL89 HCT 116 C288(1.43); C289(1.21)  LDD0800  [14]
 LDCM0484  CL9 HCT 116 C288(0.96); C289(0.82); C355(1.00)  LDD0801  [14]
 LDCM0485  CL90 HCT 116 C288(1.47); C289(1.35)  LDD0802  [14]
 LDCM0486  CL91 HCT 116 C288(1.37)  LDD0803  [14]
 LDCM0487  CL92 HCT 116 C288(1.92)  LDD0804  [14]
 LDCM0488  CL93 HCT 116 C288(1.00)  LDD0805  [14]
 LDCM0489  CL94 HCT 116 C288(1.52)  LDD0806  [14]
 LDCM0490  CL95 HCT 116 C288(1.78)  LDD0807  [14]
 LDCM0491  CL96 HCT 116 C288(1.44)  LDD0808  [14]
 LDCM0492  CL97 HCT 116 C288(3.12)  LDD0809  [14]
 LDCM0493  CL98 HCT 116 C288(0.75)  LDD0810  [14]
 LDCM0494  CL99 HCT 116 C288(0.67)  LDD0811  [14]
 LDCM0495  E2913 HEK-293T C96(0.95); C173(0.99); C267(0.92); C484(0.93)  LDD1698  [31]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C376(5.05); C381(3.41); C45(1.98)  LDD1702  [6]
 LDCM0625  F8 Ramos C484(0.50); C267(1.24); 0.99  LDD2187  [32]
 LDCM0572  Fragment10 MDA-MB-231 C288(20.00)  LDD1465  [11]
 LDCM0573  Fragment11 Ramos C267(1.19); 4.44  LDD2190  [32]
 LDCM0574  Fragment12 MDA-MB-231 C288(1.77)  LDD1468  [11]
 LDCM0575  Fragment13 Ramos C288(12.01)  LDD1470  [11]
 LDCM0576  Fragment14 MDA-MB-231 C288(0.91)  LDD1471  [11]
 LDCM0579  Fragment20 Ramos C267(0.46); C96(0.70)  LDD2194  [32]
 LDCM0580  Fragment21 MDA-MB-231 C288(1.02)  LDD1473  [11]
 LDCM0582  Fragment23 Ramos C484(1.28); C267(0.47); C96(0.77); 1.40  LDD2196  [32]
 LDCM0578  Fragment27 Ramos C267(1.01); 1.04  LDD2197  [32]
 LDCM0586  Fragment28 Ramos C267(0.70)  LDD2198  [32]
 LDCM0588  Fragment30 Ramos C484(1.18); C267(0.75); C96(1.08); 1.06  LDD2199  [32]
 LDCM0589  Fragment31 Ramos C267(1.11); 0.89  LDD2200  [32]
 LDCM0590  Fragment32 Ramos C267(0.62); C96(1.21)  LDD2201  [32]
 LDCM0468  Fragment33 HCT 116 C288(1.56)  LDD0785  [14]
 LDCM0596  Fragment38 MDA-MB-231 C288(0.65)  LDD1480  [11]
 LDCM0566  Fragment4 Ramos C267(1.04); C96(0.44)  LDD2184  [32]
 LDCM0599  Fragment41 MDA-MB-231 C288(0.75)  LDD1481  [11]
 LDCM0603  Fragment45 MDA-MB-231 C288(20.00)  LDD1482  [11]
 LDCM0427  Fragment51 HCT 116 C288(1.54); C289(0.66); C355(0.69)  LDD0744  [14]
 LDCM0610  Fragment52 Ramos C267(0.70)  LDD2204  [32]
 LDCM0614  Fragment56 MDA-MB-231 C288(0.93)  LDD1484  [11]
 LDCM0569  Fragment7 Jurkat _(7.57)  LDD1485  [11]
 LDCM0571  Fragment9 MDA-MB-231 C288(20.00)  LDD1463  [11]
 LDCM0116  HHS-0101 DM93 Y360(0.70)  LDD0264  [12]
 LDCM0117  HHS-0201 DM93 Y360(0.56)  LDD0265  [12]
 LDCM0118  HHS-0301 DM93 Y360(0.66)  LDD0266  [12]
 LDCM0119  HHS-0401 DM93 Y360(0.75)  LDD0267  [12]
 LDCM0120  HHS-0701 DM93 Y360(0.82)  LDD0268  [12]
 LDCM0107  IAA HeLa N.A.  LDD0221  [23]
 LDCM0022  KB02 HCT 116 C288(20.00); C267(1.21)  LDD0080  [14]
 LDCM0023  KB03 HCT 116 C288(1.24); C267(2.08)  LDD0081  [14]
 LDCM0024  KB05 HCT 116 C288(3.64); C267(1.50)  LDD0082  [14]
 LDCM0509  N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide MDA-MB-231 C45(1.05); C376(0.98)  LDD2102  [6]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C45(0.65); C74(0.75)  LDD2121  [6]
 LDCM0109  NEM HeLa N.A.  LDD0224  [23]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C45(0.69); C96(0.95); C267(1.07); C355(1.44)  LDD2089  [6]
 LDCM0497  Nucleophilic fragment 11b MDA-MB-231 C45(0.94); C376(1.40); C173(0.89)  LDD2090  [6]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C45(0.94); C376(1.43); C173(0.99)  LDD2092  [6]
 LDCM0501  Nucleophilic fragment 13b MDA-MB-231 C376(1.29)  LDD2094  [6]
 LDCM0503  Nucleophilic fragment 14b MDA-MB-231 C45(1.08); C74(0.09)  LDD2096  [6]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C173(1.12)  LDD2097  [6]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C45(0.88); C376(1.26)  LDD2098  [6]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C355(1.14)  LDD2099  [6]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C45(0.74)  LDD2100  [6]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C45(0.88); C173(0.91); C381(1.39); C387(0.89)  LDD2101  [6]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C45(0.60); C173(0.87)  LDD2104  [6]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C45(1.33); C376(1.66)  LDD2105  [6]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C45(0.61); C96(0.82); C267(0.97); C173(1.03)  LDD2106  [6]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C45(1.32); C387(1.23)  LDD2107  [6]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C45(0.68)  LDD2108  [6]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C45(1.15); C96(1.01)  LDD2109  [6]
 LDCM0517  Nucleophilic fragment 21b MDA-MB-231 C45(1.01)  LDD2110  [6]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C45(0.88)  LDD2111  [6]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C45(1.01)  LDD2114  [6]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C45(0.67)  LDD2115  [6]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C45(0.81); C74(0.17)  LDD2118  [6]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C45(0.91)  LDD2120  [6]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C45(0.67); C74(0.12)  LDD2122  [6]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C45(0.84); C96(0.91)  LDD2123  [6]
 LDCM0531  Nucleophilic fragment 28b MDA-MB-231 C74(0.21)  LDD2124  [6]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C45(0.70)  LDD2125  [6]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C45(1.03); C96(1.38)  LDD2127  [6]
 LDCM0535  Nucleophilic fragment 30b MDA-MB-231 C45(0.95)  LDD2128  [6]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C45(1.06)  LDD2129  [6]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C45(0.67); C173(0.87)  LDD2133  [6]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C45(0.56); C387(0.34)  LDD2134  [6]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C381(8.80)  LDD2135  [6]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C45(1.41); C96(1.29)  LDD2136  [6]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C45(0.89); C96(1.20)  LDD2137  [6]
 LDCM0211  Nucleophilic fragment 3b MDA-MB-231 C45(2.07)  LDD1700  [6]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C45(0.93)  LDD2140  [6]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C45(0.55); C267(1.11)  LDD2141  [6]
 LDCM0549  Nucleophilic fragment 43 MDA-MB-231 C45(1.00)  LDD2143  [6]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C45(2.01)  LDD2144  [6]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C45(0.98)  LDD2146  [6]
 LDCM0553  Nucleophilic fragment 6b MDA-MB-231 C45(2.06)  LDD2147  [6]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C173(0.41)  LDD2148  [6]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C45(0.56)  LDD2150  [6]
 LDCM0557  Nucleophilic fragment 8b MDA-MB-231 C74(0.16)  LDD2151  [6]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C45(1.56); C376(2.39)  LDD2153  [6]
 LDCM0627  NUDT7-COV-1 HEK-293T C288(0.72)  LDD2206  [33]
 LDCM0628  OTUB2-COV-1 HEK-293T C288(1.21)  LDD2207  [33]
 LDCM0099  Phenelzine HEK-293T 7.29  LDD0282  [9]
 LDCM0131  RA190 MM1.R C484(1.23); C288(1.16); C267(1.03)  LDD0304  [34]
 LDCM0003  Sulforaphane MCF-7 6.30  LDD0042  [10]
 LDCM0021  THZ1 HCT 116 C288(1.24); C289(1.24); C376(1.40); C381(1.40)  LDD2173  [14]
 LDCM0002  Ward_cp1 U2OS 3.55  LDD0041  [13]

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

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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 Design and synthesis of tailored human caseinolytic protease P inhibitors. Chem Commun (Camb). 2018 Aug 28;54(70):9833-9836. doi: 10.1039/c8cc05265d.
Mass spectrometry data entry: PXD010277
4 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.
5 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.
6 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
7 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
8 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.
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10 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
11 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.
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Mass spectrometry data entry: PXD023056 , PXD023059 , PXD023058 , PXD023057 , PXD023060
17 SP3-Enabled Rapid and High Coverage Chemoproteomic Identification of Cell-State-Dependent Redox-Sensitive Cysteines. Mol Cell Proteomics. 2022 Apr;21(4):100218. doi: 10.1016/j.mcpro.2022.100218. Epub 2022 Feb 25.
Mass spectrometry data entry: PXD029500 , PXD031647
18 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
19 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
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 Site-Specific Activity-Based Protein Profiling Using Phosphonate Handles. Mol Cell Proteomics. 2023 Jan;22(1):100455. doi: 10.1016/j.mcpro.2022.100455. Epub 2022 Nov 24.
Mass spectrometry data entry: PXD036569
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Mass spectrometry data entry: PXD039931
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Mass spectrometry data entry: PXD038010
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30 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
31 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
32 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
33 Rapid Covalent-Probe Discovery by Electrophile-Fragment Screening. J Am Chem Soc. 2019 Jun 5;141(22):8951-8968. doi: 10.1021/jacs.9b02822. Epub 2019 May 22.
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.