General Information of Target

Target ID LDTP05873
Target Name Disintegrin and metalloproteinase domain-containing protein 9 (ADAM9)
Gene Name ADAM9
Gene ID 8754
Synonyms
KIAA0021; MCMP; MDC9; MLTNG; Disintegrin and metalloproteinase domain-containing protein 9; ADAM 9; EC 3.4.24.-; Cellular disintegrin-related protein; Meltrin-gamma; Metalloprotease/disintegrin/cysteine-rich protein 9; Myeloma cell metalloproteinase
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MGSGARFPSGTLRVRWLLLLGLVGPVLGAARPGFQQTSHLSSYEIITPWRLTRERREAPR
PYSKQVSYVIQAEGKEHIIHLERNKDLLPEDFVVYTYNKEGTLITDHPNIQNHCHYRGYV
EGVHNSSIALSDCFGLRGLLHLENASYGIEPLQNSSHFEHIIYRMDDVYKEPLKCGVSNK
DIEKETAKDEEEEPPSMTQLLRRRRAVLPQTRYVELFIVVDKERYDMMGRNQTAVREEMI
LLANYLDSMYIMLNIRIVLVGLEIWTNGNLINIVGGAGDVLGNFVQWREKFLITRRRHDS
AQLVLKKGFGGTAGMAFVGTVCSRSHAGGINVFGQITVETFASIVAHELGHNLGMNHDDG
RDCSCGAKSCIMNSGASGSRNFSSCSAEDFEKLTLNKGGNCLLNIPKPDEAYSAPSCGNK
LVDAGEECDCGTPKECELDPCCEGSTCKLKSFAECAYGDCCKDCRFLPGGTLCRGKTSEC
DVPEYCNGSSQFCQPDVFIQNGYPCQNNKAYCYNGMCQYYDAQCQVIFGSKAKAAPKDCF
IEVNSKGDRFGNCGFSGNEYKKCATGNALCGKLQCENVQEIPVFGIVPAIIQTPSRGTKC
WGVDFQLGSDVPDPGMVNEGTKCGAGKICRNFQCVDASVLNYDCDVQKKCHGHGVCNSNK
NCHCENGWAPPNCETKGYGGSVDSGPTYNEMNTALRDGLLVFFFLIVPLIVCAIFIFIKR
DQLWRSYFRKKRSQTYESDGKNQANPSRQPGSVPRHVSPVTPPREVPIYANRFAVPTYAA
KQPQQFPSRPPPPQPKVSSQGNLIPARPAPAPPLYSSLT
Target Type
Clinical trial
Target Bioclass
Enzyme
Subcellular location
Secreted; Cell membrane
Function
Metalloprotease that cleaves and releases a number of molecules with important roles in tumorigenesis and angiogenesis, such as TEK, KDR, EPHB4, CD40, VCAM1 and CDH5. May mediate cell-cell, cell-matrix interactions and regulate the motility of cells via interactions with integrins.; [Isoform 2]: May act as alpha-secretase for amyloid precursor protein (APP).
TTD ID
T03672
Uniprot ID
Q13443
DrugMap ID
TTTYQNS
Ensemble ID
ENST00000379917.7
HGNC ID
HGNC:216
ChEMBL ID
CHEMBL5982

Target Site Mutations in Different Cell Lines

Cell line Mutation details Probe for labeling this protein in this cell
AN3CA SNV: p.G33A .
CCLP1 SNV: p.G431V DBIA    Probe Info 
CMK SNV: p.Q36L .
HLF SNV: p.N487S DBIA    Probe Info 
HT115 SNV: p.N352T DBIA    Probe Info 
IPC298 SNV: p.C524S DBIA    Probe Info 
KARPAS422 SNV: p.N487S .
MEWO SNV: p.P813S DBIA    Probe Info 
WM115 SNV: p.E619K .
WM2664 SNV: p.E619K DBIA    Probe Info 

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 8 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
STPyne
 Probe Info 
K290(8.33)  LDD0277  [1]
OPA-S-S-alkyne
 Probe Info 
K290(2.64); K368(3.66)  LDD3494  [2]
BTD
 Probe Info 
C370(1.05)  LDD2109  [3]
IPM
 Probe Info 
C175(7.48)  LDD1702  [3]
Acrolein
 Probe Info 
N.A.  LDD0223  [4]
DBIA
 Probe Info 
C370(1.48)  LDD0078  [5]
IA-alkyne
 Probe Info 
C575(0.00); C553(0.00); C370(0.00); C401(0.00)  LDD0162  [6]
NAIA_5
 Probe Info 
C539(0.00); C553(0.00); C575(0.00); C417(0.00)  LDD2223  [7]
PAL-AfBPP Probe
Click To Hide/Show 1 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
STS-2
 Probe Info 
N.A.  LDD0138  [8]

Competitor(s) Related to This Target

Competitor ID Name Cell line Binding Site(Ratio) Interaction ID Ref
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C370(1.10)  LDD2117  [3]
 LDCM0214  AC1 HCT 116 C673(0.98); C322(1.05); C370(0.78); C634(0.96)  LDD0531  [5]
 LDCM0215  AC10 HCT 116 C365(0.67); C370(1.05); C553(0.98); C563(0.99)  LDD0532  [5]
 LDCM0216  AC100 HCT 116 C322(0.81); C363(0.77); C365(0.77); C553(0.54)  LDD0533  [5]
 LDCM0217  AC101 HCT 116 C322(0.82); C363(0.83); C365(0.83); C553(1.03)  LDD0534  [5]
 LDCM0218  AC102 HCT 116 C322(0.79); C363(0.86); C365(0.86); C553(1.35)  LDD0535  [5]
 LDCM0219  AC103 HCT 116 C322(0.93); C363(0.82); C365(0.82); C553(1.22)  LDD0536  [5]
 LDCM0220  AC104 HCT 116 C322(0.75); C363(1.03); C365(1.03); C553(1.07)  LDD0537  [5]
 LDCM0221  AC105 HCT 116 C322(0.92); C363(0.91); C365(0.91); C553(1.06)  LDD0538  [5]
 LDCM0222  AC106 HCT 116 C322(1.12); C363(0.78); C365(0.78); C553(0.81)  LDD0539  [5]
 LDCM0223  AC107 HCT 116 C322(0.73); C363(0.83); C365(0.83); C553(0.83)  LDD0540  [5]
 LDCM0224  AC108 HCT 116 C322(0.77); C363(0.98); C365(0.98); C553(0.79)  LDD0541  [5]
 LDCM0225  AC109 HCT 116 C322(0.78); C363(1.11); C365(1.11); C553(0.93)  LDD0542  [5]
 LDCM0226  AC11 HCT 116 C365(0.85); C370(1.08); C553(1.08); C563(0.85)  LDD0543  [5]
 LDCM0227  AC110 HCT 116 C322(0.77); C363(0.87); C365(0.87); C553(0.70)  LDD0544  [5]
 LDCM0228  AC111 HCT 116 C322(0.82); C363(1.00); C365(1.00); C553(0.83)  LDD0545  [5]
 LDCM0229  AC112 HCT 116 C322(0.77); C363(0.92); C365(0.92); C553(0.93)  LDD0546  [5]
 LDCM0230  AC113 HCT 116 C322(1.11); C363(1.25); C365(1.25); C370(0.79)  LDD0547  [5]
 LDCM0231  AC114 HCT 116 C322(0.95); C363(1.28); C365(1.28); C370(0.86)  LDD0548  [5]
 LDCM0232  AC115 HCT 116 C322(1.18); C363(1.50); C365(1.50); C370(0.77)  LDD0549  [5]
 LDCM0233  AC116 HCT 116 C322(0.97); C363(1.28); C365(1.28); C370(1.24)  LDD0550  [5]
 LDCM0234  AC117 HCT 116 C322(1.05); C363(1.44); C365(1.44); C370(1.06)  LDD0551  [5]
 LDCM0235  AC118 HCT 116 C322(0.81); C363(1.59); C365(1.59); C370(1.21)  LDD0552  [5]
 LDCM0236  AC119 HCT 116 C322(1.56); C363(2.40); C365(2.40); C370(1.11)  LDD0553  [5]
 LDCM0237  AC12 HCT 116 C365(0.83); C370(1.19); C553(1.02); C563(1.01)  LDD0554  [5]
 LDCM0238  AC120 HCT 116 C322(1.16); C363(1.49); C365(1.49); C370(0.92)  LDD0555  [5]
 LDCM0239  AC121 HCT 116 C322(0.98); C363(1.76); C365(1.76); C370(1.00)  LDD0556  [5]
 LDCM0240  AC122 HCT 116 C322(1.42); C363(2.71); C365(2.71); C370(1.22)  LDD0557  [5]
 LDCM0241  AC123 HCT 116 C322(1.33); C363(2.02); C365(2.02); C370(0.88)  LDD0558  [5]
 LDCM0242  AC124 HCT 116 C322(0.96); C363(1.99); C365(1.99); C370(1.27)  LDD0559  [5]
 LDCM0243  AC125 HCT 116 C322(0.89); C363(1.49); C365(1.49); C370(0.96)  LDD0560  [5]
 LDCM0244  AC126 HCT 116 C322(1.41); C363(1.30); C365(1.30); C370(1.22)  LDD0561  [5]
 LDCM0245  AC127 HCT 116 C322(1.40); C363(1.59); C365(1.59); C370(0.99)  LDD0562  [5]
 LDCM0246  AC128 HCT 116 C363(1.06); C365(1.19); C553(0.60); C634(0.86)  LDD0563  [5]
 LDCM0247  AC129 HCT 116 C363(0.95); C365(0.98); C553(0.63); C634(0.86)  LDD0564  [5]
 LDCM0249  AC130 HCT 116 C363(1.04); C365(1.08); C553(0.64); C634(0.73)  LDD0566  [5]
 LDCM0250  AC131 HCT 116 C363(1.06); C365(1.13); C553(0.68); C634(0.87)  LDD0567  [5]
 LDCM0251  AC132 HCT 116 C363(1.06); C365(1.09); C553(0.70); C634(0.77)  LDD0568  [5]
 LDCM0252  AC133 HCT 116 C363(1.15); C365(1.23); C553(0.69); C634(0.95)  LDD0569  [5]
 LDCM0253  AC134 HCT 116 C363(1.13); C365(1.14); C553(0.76); C634(0.85)  LDD0570  [5]
 LDCM0254  AC135 HCT 116 C363(1.10); C365(1.13); C553(0.77); C634(0.79)  LDD0571  [5]
 LDCM0255  AC136 HCT 116 C363(1.09); C365(1.09); C553(0.61); C634(0.80)  LDD0572  [5]
 LDCM0256  AC137 HCT 116 C363(1.16); C365(1.16); C553(0.75); C634(0.95)  LDD0573  [5]
 LDCM0257  AC138 HCT 116 C363(1.03); C365(0.94); C553(0.71); C634(0.82)  LDD0574  [5]
 LDCM0258  AC139 HCT 116 C363(1.13); C365(1.08); C553(0.75); C634(1.15)  LDD0575  [5]
 LDCM0259  AC14 HCT 116 C365(0.76); C370(1.19); C553(0.90); C563(0.74)  LDD0576  [5]
 LDCM0260  AC140 HCT 116 C363(1.15); C365(1.02); C553(0.84); C634(1.02)  LDD0577  [5]
 LDCM0261  AC141 HCT 116 C363(1.14); C365(1.05); C553(0.68); C634(0.86)  LDD0578  [5]
 LDCM0262  AC142 HCT 116 C363(1.17); C365(1.17); C553(0.57); C634(0.87)  LDD0579  [5]
 LDCM0263  AC143 HCT 116 C673(0.86); C370(0.90); C401(0.75); C417(0.75)  LDD0580  [5]
 LDCM0264  AC144 HCT 116 C401(0.96); C417(0.96); C370(1.12); C673(1.14)  LDD0581  [5]
 LDCM0265  AC145 HCT 116 C401(0.75); C417(0.75); C634(0.93); C644(0.93)  LDD0582  [5]
 LDCM0266  AC146 HCT 116 C634(0.79); C644(0.79); C401(0.82); C417(0.82)  LDD0583  [5]
 LDCM0267  AC147 HCT 116 C401(0.68); C417(0.68); C370(0.73); C553(0.92)  LDD0584  [5]
 LDCM0268  AC148 HCT 116 C673(0.90); C662(0.90); C634(0.93); C644(0.93)  LDD0585  [5]
 LDCM0269  AC149 HCT 116 C634(0.88); C644(0.88); C401(0.90); C417(0.90)  LDD0586  [5]
 LDCM0270  AC15 HCT 116 C563(0.85); C570(0.85); C553(1.01); C365(1.04)  LDD0587  [5]
 LDCM0271  AC150 HCT 116 C553(1.00); C370(1.06); C634(1.07); C644(1.07)  LDD0588  [5]
 LDCM0272  AC151 HCT 116 C673(0.85); C662(0.85); C370(0.95); C553(1.02)  LDD0589  [5]
 LDCM0273  AC152 HCT 116 C673(0.78); C662(0.78); C634(0.97); C644(0.97)  LDD0590  [5]
 LDCM0274  AC153 HCT 116 C673(0.76); C662(0.76); C634(0.84); C644(0.84)  LDD0591  [5]
 LDCM0621  AC154 HCT 116 C673(0.97); C370(1.09); C401(0.75); C417(0.75)  LDD2158  [5]
 LDCM0622  AC155 HCT 116 C673(1.35); C370(1.44); C401(1.50); C417(1.50)  LDD2159  [5]
 LDCM0623  AC156 HCT 116 C673(1.26); C370(1.19); C401(0.91); C417(0.91)  LDD2160  [5]
 LDCM0624  AC157 HCT 116 C673(0.80); C370(1.14); C401(0.91); C417(0.91)  LDD2161  [5]
 LDCM0276  AC17 HCT 116 C370(0.62); C563(1.02); C570(1.02); C553(1.04)  LDD0593  [5]
 LDCM0277  AC18 HCT 116 C370(0.64); C553(0.91); C563(0.98); C570(0.98)  LDD0594  [5]
 LDCM0278  AC19 HCT 116 C370(0.47); C563(1.04); C570(1.04); C553(1.07)  LDD0595  [5]
 LDCM0279  AC2 HCT 116 C673(0.67); C662(0.67); C370(0.88); C634(0.99)  LDD0596  [5]
 LDCM0280  AC20 HCT 116 C370(0.83); C563(0.97); C570(0.97); C553(1.01)  LDD0597  [5]
 LDCM0281  AC21 HCT 116 C370(0.78); C553(0.90); C563(1.01); C570(1.01)  LDD0598  [5]
 LDCM0282  AC22 HCT 116 C370(0.57); C401(0.96); C417(0.96); C563(0.98)  LDD0599  [5]
 LDCM0283  AC23 HCT 116 C370(0.62); C563(0.79); C570(0.79); C553(0.91)  LDD0600  [5]
 LDCM0284  AC24 HCT 116 C401(0.90); C417(0.90); C563(0.98); C570(0.98)  LDD0601  [5]
 LDCM0285  AC25 HCT 116 C365(1.06); C322(1.09); C553(1.13); C363(1.21)  LDD0602  [5]
 LDCM0286  AC26 HCT 116 C370(0.98); C322(1.03); C365(1.06); C363(1.20)  LDD0603  [5]
 LDCM0287  AC27 HCT 116 C322(1.15); C553(1.20); C365(1.23); C363(1.27)  LDD0604  [5]
 LDCM0288  AC28 HCT 116 C322(1.13); C365(1.34); C553(1.37); C363(1.45)  LDD0605  [5]
 LDCM0289  AC29 HCT 116 C370(0.93); C322(1.14); C363(1.14); C553(1.18)  LDD0606  [5]
 LDCM0290  AC3 HCT 116 C673(0.69); C662(0.69); C322(1.02); C634(1.03)  LDD0607  [5]
 LDCM0291  AC30 HCT 116 C363(1.14); C322(1.16); C553(1.24); C365(1.31)  LDD0608  [5]
 LDCM0292  AC31 HCT 116 C322(1.19); C553(1.23); C363(1.26); C365(1.31)  LDD0609  [5]
 LDCM0293  AC32 HCT 116 C363(1.20); C322(1.25); C365(1.27); C370(1.41)  LDD0610  [5]
 LDCM0294  AC33 HCT 116 C322(1.12); C370(1.17); C365(1.24); C363(1.25)  LDD0611  [5]
 LDCM0295  AC34 HCT 116 C363(1.15); C553(1.18); C370(1.18); C322(1.32)  LDD0612  [5]
 LDCM0296  AC35 HCT 116 C553(0.88); C363(0.91); C365(0.91); C401(0.96)  LDD0613  [5]
 LDCM0297  AC36 HCT 116 C363(0.88); C365(0.88); C553(1.04); C664(1.04)  LDD0614  [5]
 LDCM0298  AC37 HCT 116 C553(0.83); C363(0.92); C365(0.92); C563(1.00)  LDD0615  [5]
 LDCM0299  AC38 HCT 116 C363(0.93); C365(0.93); C401(0.98); C417(0.98)  LDD0616  [5]
 LDCM0300  AC39 HCT 116 C363(0.86); C365(0.86); C664(0.95); C662(0.95)  LDD0617  [5]
 LDCM0301  AC4 HCT 116 C673(0.77); C662(0.77); C370(0.84); C322(1.04)  LDD0618  [5]
 LDCM0302  AC40 HCT 116 C363(0.79); C365(0.79); C563(0.85); C570(0.85)  LDD0619  [5]
 LDCM0303  AC41 HCT 116 C363(0.94); C365(0.94); C553(0.95); C401(0.98)  LDD0620  [5]
 LDCM0304  AC42 HCT 116 C363(0.90); C365(0.90); C401(0.93); C417(0.93)  LDD0621  [5]
 LDCM0305  AC43 HCT 116 C363(0.93); C365(0.93); C553(1.10); C664(1.14)  LDD0622  [5]
 LDCM0306  AC44 HCT 116 C563(0.87); C570(0.87); C363(0.92); C365(0.92)  LDD0623  [5]
 LDCM0307  AC45 HCT 116 C363(0.87); C365(0.87); C563(1.00); C570(1.00)  LDD0624  [5]
 LDCM0308  AC46 HCT 116 C365(0.68); C634(0.94); C644(0.94); C662(1.07)  LDD0625  [5]
 LDCM0309  AC47 HCT 116 C365(0.82); C634(0.84); C644(0.84); C553(1.04)  LDD0626  [5]
 LDCM0310  AC48 HCT 116 C365(0.88); C634(0.89); C644(0.89); C553(1.15)  LDD0627  [5]
 LDCM0311  AC49 HCT 116 C634(0.78); C644(0.78); C365(1.00); C553(1.04)  LDD0628  [5]
 LDCM0312  AC5 HCT 116 C673(0.96); C662(0.96); C634(1.02); C644(1.02)  LDD0629  [5]
 LDCM0313  AC50 HCT 116 C634(0.84); C644(0.84); C365(0.95); C662(0.98)  LDD0630  [5]
 LDCM0314  AC51 HCT 116 C365(0.57); C553(1.07); C634(1.15); C644(1.15)  LDD0631  [5]
 LDCM0315  AC52 HCT 116 C365(0.71); C634(0.74); C644(0.74); C553(1.09)  LDD0632  [5]
 LDCM0316  AC53 HCT 116 C634(0.78); C644(0.78); C365(0.81); C662(0.93)  LDD0633  [5]
 LDCM0317  AC54 HCT 116 C365(0.79); C634(1.09); C644(1.09); C662(1.11)  LDD0634  [5]
 LDCM0318  AC55 HCT 116 C634(0.82); C644(0.82); C673(0.86); C664(0.89)  LDD0635  [5]
 LDCM0319  AC56 HCT 116 C634(0.46); C644(0.46); C662(0.47); C664(0.48)  LDD0636  [5]
 LDCM0320  AC57 HCT 116 C662(0.95); C363(1.00); C365(1.00); C664(1.13)  LDD0637  [5]
 LDCM0321  AC58 HCT 116 C563(0.99); C570(0.99); C363(1.00); C365(1.00)  LDD0638  [5]
 LDCM0322  AC59 HCT 116 C662(0.95); C673(1.00); C664(1.03); C553(1.05)  LDD0639  [5]
 LDCM0323  AC6 HCT 116 C365(0.90); C563(0.91); C570(0.91); C370(0.96)  LDD0640  [5]
 LDCM0324  AC60 HCT 116 C563(0.97); C570(0.97); C662(1.06); C673(1.16)  LDD0641  [5]
 LDCM0325  AC61 HCT 116 C363(0.98); C365(0.98); C662(1.05); C563(1.07)  LDD0642  [5]
 LDCM0326  AC62 HCT 116 C673(0.94); C662(1.01); C664(1.04); C563(1.08)  LDD0643  [5]
 LDCM0327  AC63 HCT 116 C363(0.75); C365(0.75); C662(1.03); C553(1.09)  LDD0644  [5]
 LDCM0328  AC64 HCT 116 C673(0.86); C363(0.92); C365(0.92); C563(0.97)  LDD0645  [5]
 LDCM0329  AC65 HCT 116 C563(0.78); C570(0.78); C363(0.95); C365(0.95)  LDD0646  [5]
 LDCM0330  AC66 HCT 116 C563(0.80); C570(0.80); C363(0.95); C365(0.95)  LDD0647  [5]
 LDCM0331  AC67 HCT 116 C563(0.64); C570(0.64); C662(0.72); C673(0.72)  LDD0648  [5]
 LDCM0332  AC68 HCT 116 C563(0.89); C570(0.89); C370(0.90); C363(0.91)  LDD0649  [5]
 LDCM0333  AC69 HCT 116 C664(0.68); C673(0.68); C563(0.71); C570(0.71)  LDD0650  [5]
 LDCM0334  AC7 HCT 116 C365(0.78); C553(0.93); C563(1.04); C570(1.04)  LDD0651  [5]
 LDCM0335  AC70 HCT 116 C363(0.92); C365(0.92); C322(0.99); C370(1.04)  LDD0652  [5]
 LDCM0336  AC71 HCT 116 C563(0.77); C570(0.77); C370(0.84); C322(0.84)  LDD0653  [5]
 LDCM0337  AC72 HCT 116 C563(0.57); C570(0.57); C664(0.63); C673(0.63)  LDD0654  [5]
 LDCM0338  AC73 HCT 116 C662(0.51); C664(0.55); C673(0.55); C634(0.75)  LDD0655  [5]
 LDCM0339  AC74 HCT 116 C662(0.50); C664(0.59); C673(0.59); C634(0.79)  LDD0656  [5]
 LDCM0340  AC75 HCT 116 C664(0.33); C673(0.33); C662(0.34); C563(0.55)  LDD0657  [5]
 LDCM0341  AC76 HCT 116 C370(0.71); C363(0.75); C365(0.75); C563(0.76)  LDD0658  [5]
 LDCM0342  AC77 HCT 116 C662(0.84); C664(0.85); C673(0.85); C322(0.93)  LDD0659  [5]
 LDCM0343  AC78 HCT 116 C563(0.77); C570(0.77); C363(0.80); C365(0.80)  LDD0660  [5]
 LDCM0344  AC79 HCT 116 C662(0.68); C664(0.73); C673(0.73); C363(0.82)  LDD0661  [5]
 LDCM0345  AC8 HCT 116 C365(0.78); C553(0.88); C563(0.96); C570(0.96)  LDD0662  [5]
 LDCM0346  AC80 HCT 116 C563(0.69); C570(0.69); C662(0.73); C664(0.77)  LDD0663  [5]
 LDCM0347  AC81 HCT 116 C322(0.63); C664(0.84); C673(0.84); C401(0.90)  LDD0664  [5]
 LDCM0348  AC82 HCT 116 C662(0.11); C664(0.11); C673(0.11); C401(0.13)  LDD0665  [5]
 LDCM0349  AC83 HCT 116 C370(0.83); C365(0.88); C673(1.18); C662(1.18)  LDD0666  [5]
 LDCM0350  AC84 HCT 116 C370(0.73); C365(0.98); C673(1.23); C662(1.23)  LDD0667  [5]
 LDCM0351  AC85 HCT 116 C365(0.68); C370(0.81); C673(1.09); C662(1.09)  LDD0668  [5]
 LDCM0352  AC86 HCT 116 C370(0.87); C365(0.88); C673(1.24); C662(1.24)  LDD0669  [5]
 LDCM0353  AC87 HCT 116 C365(0.61); C673(0.94); C662(0.94); C370(1.22)  LDD0670  [5]
 LDCM0354  AC88 HCT 116 C365(0.69); C673(0.88); C662(0.88); C370(1.02)  LDD0671  [5]
 LDCM0355  AC89 HCT 116 C365(0.60); C370(0.89); C673(1.08); C662(1.08)  LDD0672  [5]
 LDCM0357  AC90 HCT 116 C365(0.61); C673(1.19); C662(1.19); C370(1.29)  LDD0674  [5]
 LDCM0358  AC91 HCT 116 C365(0.83); C673(0.85); C662(0.85); C370(0.89)  LDD0675  [5]
 LDCM0359  AC92 HCT 116 C365(0.76); C370(0.92); C673(1.00); C662(1.00)  LDD0676  [5]
 LDCM0360  AC93 HCT 116 C365(0.65); C673(0.91); C662(0.91); C370(1.13)  LDD0677  [5]
 LDCM0361  AC94 HCT 116 C365(0.50); C370(0.92); C673(1.06); C662(1.06)  LDD0678  [5]
 LDCM0362  AC95 HCT 116 C365(0.59); C370(0.91); C673(1.05); C662(1.05)  LDD0679  [5]
 LDCM0363  AC96 HCT 116 C370(0.88); C365(1.03); C673(1.20); C662(1.20)  LDD0680  [5]
 LDCM0364  AC97 HCT 116 C365(0.60); C370(0.97); C673(1.13); C662(1.13)  LDD0681  [5]
 LDCM0365  AC98 HCT 116 C634(0.17); C644(0.17); C553(0.32); C363(0.80)  LDD0682  [5]
 LDCM0366  AC99 HCT 116 C634(0.56); C644(0.56); C363(0.75); C365(0.75)  LDD0683  [5]
 LDCM0248  AKOS034007472 HCT 116 C365(0.84); C370(1.11); C553(1.06); C563(0.92)  LDD0565  [5]
 LDCM0356  AKOS034007680 HCT 116 C365(0.75); C553(0.90); C634(0.93); C644(0.93)  LDD0673  [5]
 LDCM0275  AKOS034007705 HCT 116 C563(0.81); C570(0.81); C365(1.03); C370(1.10)  LDD0592  [5]
 LDCM0020  ARS-1620 HCC44 C370(1.48)  LDD0078  [5]
 LDCM0367  CL1 HCT 116 C634(0.60); C644(0.60); C664(0.65); C662(0.65)  LDD0684  [5]
 LDCM0368  CL10 HCT 116 C664(0.63); C662(0.63); C634(0.73); C644(0.73)  LDD0685  [5]
 LDCM0369  CL100 HCT 116 C673(0.70); C662(0.70); C370(0.97); C322(1.07)  LDD0686  [5]
 LDCM0370  CL101 HCT 116 C553(0.89); C563(0.95); C570(0.95); C370(0.97)  LDD0687  [5]
 LDCM0371  CL102 HCT 116 C563(0.63); C570(0.63); C365(0.64); C370(0.88)  LDD0688  [5]
 LDCM0372  CL103 HCT 116 C365(0.61); C563(0.81); C570(0.81); C553(0.82)  LDD0689  [5]
 LDCM0373  CL104 HCT 116 C553(0.78); C563(0.86); C570(0.86); C365(0.88)  LDD0690  [5]
 LDCM0374  CL105 HCT 116 C370(0.70); C553(0.83); C563(0.93); C570(0.93)  LDD0691  [5]
 LDCM0375  CL106 HCT 116 C370(0.52); C553(0.80); C563(0.84); C570(0.84)  LDD0692  [5]
 LDCM0376  CL107 HCT 116 C370(0.44); C553(0.84); C563(1.00); C570(1.00)  LDD0693  [5]
 LDCM0377  CL108 HCT 116 C370(0.48); C553(0.80); C563(0.99); C570(0.99)  LDD0694  [5]
 LDCM0378  CL109 HCT 116 C370(0.54); C563(0.89); C570(0.89); C553(0.91)  LDD0695  [5]
 LDCM0379  CL11 HCT 116 C664(0.57); C662(0.57); C634(0.70); C644(0.70)  LDD0696  [5]
 LDCM0380  CL110 HCT 116 C370(0.54); C553(0.86); C563(0.89); C570(0.89)  LDD0697  [5]
 LDCM0381  CL111 HCT 116 C370(0.47); C563(0.70); C570(0.70); C553(0.74)  LDD0698  [5]
 LDCM0382  CL112 HCT 116 C553(0.87); C322(0.99); C365(1.13); C363(1.21)  LDD0699  [5]
 LDCM0383  CL113 HCT 116 C363(1.06); C365(1.11); C553(1.20); C322(1.21)  LDD0700  [5]
 LDCM0384  CL114 HCT 116 C553(0.89); C365(0.93); C363(0.97); C370(1.05)  LDD0701  [5]
 LDCM0385  CL115 HCT 116 C363(0.86); C553(0.94); C365(1.02); C370(1.11)  LDD0702  [5]
 LDCM0386  CL116 HCT 116 C553(1.10); C322(1.14); C363(1.15); C365(1.17)  LDD0703  [5]
 LDCM0387  CL117 HCT 116 C363(0.75); C365(0.75); C563(0.75); C570(0.75)  LDD0704  [5]
 LDCM0388  CL118 HCT 116 C363(0.94); C365(0.94); C563(0.95); C570(0.95)  LDD0705  [5]
 LDCM0389  CL119 HCT 116 C664(0.80); C662(0.80); C363(0.91); C365(0.91)  LDD0706  [5]
 LDCM0390  CL12 HCT 116 C365(1.03); C370(1.13); C664(1.15); C662(1.15)  LDD0707  [5]
 LDCM0391  CL120 HCT 116 C363(0.84); C365(0.84); C563(0.88); C570(0.88)  LDD0708  [5]
 LDCM0392  CL121 HCT 116 C365(0.58); C553(0.85); C673(2.05); C634(2.17)  LDD0709  [5]
 LDCM0393  CL122 HCT 116 C634(0.72); C644(0.72); C365(0.76); C673(0.82)  LDD0710  [5]
 LDCM0394  CL123 HCT 116 C553(0.68); C662(0.75); C634(0.77); C644(0.77)  LDD0711  [5]
 LDCM0395  CL124 HCT 116 C365(0.80); C673(0.89); C664(0.91); C634(0.92)  LDD0712  [5]
 LDCM0396  CL125 HCT 116 C553(1.01); C563(1.09); C570(1.09); C363(1.12)  LDD0713  [5]
 LDCM0397  CL126 HCT 116 C563(0.64); C570(0.64); C662(0.82); C553(0.87)  LDD0714  [5]
 LDCM0398  CL127 HCT 116 C563(0.90); C570(0.90); C662(1.05); C664(1.09)  LDD0715  [5]
 LDCM0399  CL128 HCT 116 C363(0.88); C365(0.88); C553(1.02); C662(1.06)  LDD0716  [5]
 LDCM0400  CL13 HCT 116 C634(0.43); C644(0.43); C664(0.47); C662(0.47)  LDD0717  [5]
 LDCM0401  CL14 HCT 116 C365(0.62); C664(0.72); C662(0.72); C553(0.81)  LDD0718  [5]
 LDCM0402  CL15 HCT 116 C553(0.57); C365(0.81); C634(0.83); C644(0.83)  LDD0719  [5]
 LDCM0403  CL16 HCT 116 C563(0.77); C570(0.77); C664(0.87); C662(0.87)  LDD0720  [5]
 LDCM0404  CL17 HCT 116 C664(0.62); C662(0.62); C563(0.74); C570(0.74)  LDD0721  [5]
 LDCM0405  CL18 HCT 116 C563(0.96); C570(0.96); C664(1.08); C662(1.08)  LDD0722  [5]
 LDCM0406  CL19 HCT 116 C664(0.74); C662(0.74); C363(1.05); C365(1.05)  LDD0723  [5]
 LDCM0407  CL2 HCT 116 C365(0.56); C664(0.84); C662(0.84); C370(0.90)  LDD0724  [5]
 LDCM0408  CL20 HCT 116 C363(0.75); C365(0.75); C370(0.80); C563(0.94)  LDD0725  [5]
 LDCM0409  CL21 HCT 116 C664(0.74); C662(0.74); C563(0.82); C570(0.82)  LDD0726  [5]
 LDCM0410  CL22 HCT 116 C664(0.42); C662(0.42); C370(0.65); C563(0.74)  LDD0727  [5]
 LDCM0411  CL23 HCT 116 C370(0.50); C563(0.90); C570(0.90); C664(1.05)  LDD0728  [5]
 LDCM0412  CL24 HCT 116 C370(0.87); C664(0.91); C662(0.91); C563(0.99)  LDD0729  [5]
 LDCM0413  CL25 HCT 116 C664(0.45); C363(1.23); C365(1.23); C370(2.02)  LDD0730  [5]
 LDCM0414  CL26 HCT 116 C664(0.65); C363(1.32); C365(1.32); C370(1.01)  LDD0731  [5]
 LDCM0415  CL27 HCT 116 C664(0.95); C363(1.04); C365(1.04); C370(1.02)  LDD0732  [5]
 LDCM0416  CL28 HCT 116 C664(0.46); C363(1.13); C365(1.13); C370(1.49)  LDD0733  [5]
 LDCM0417  CL29 HCT 116 C664(1.03); C363(1.12); C365(1.12); C370(0.67)  LDD0734  [5]
 LDCM0418  CL3 HCT 116 C664(0.92); C365(0.61); C370(0.99); C553(0.87)  LDD0735  [5]
 LDCM0419  CL30 HCT 116 C664(0.87); C363(1.09); C365(1.09); C370(1.29)  LDD0736  [5]
 LDCM0420  CL31 HCT 116 C664(0.65); C673(0.48); C363(1.27); C365(1.14)  LDD0737  [5]
 LDCM0421  CL32 HCT 116 C664(0.59); C673(0.62); C363(1.40); C365(1.42)  LDD0738  [5]
 LDCM0422  CL33 HCT 116 C664(0.50); C673(0.57); C363(0.81); C365(1.02)  LDD0739  [5]
 LDCM0423  CL34 HCT 116 C664(1.12); C673(0.94); C363(1.60); C365(1.41)  LDD0740  [5]
 LDCM0424  CL35 HCT 116 C664(0.82); C673(0.75); C363(1.50); C365(1.40)  LDD0741  [5]
 LDCM0425  CL36 HCT 116 C664(0.58); C673(0.57); C363(1.53); C365(1.45)  LDD0742  [5]
 LDCM0426  CL37 HCT 116 C664(0.94); C673(0.72); C363(1.48); C365(1.34)  LDD0743  [5]
 LDCM0428  CL39 HCT 116 C664(0.44); C673(0.34); C363(1.22); C365(1.28)  LDD0745  [5]
 LDCM0429  CL4 HCT 116 C664(1.03); C365(0.68); C370(0.81); C553(0.80)  LDD0746  [5]
 LDCM0430  CL40 HCT 116 C664(0.74); C673(0.66); C363(1.79); C365(1.47)  LDD0747  [5]
 LDCM0431  CL41 HCT 116 C664(0.70); C673(0.61); C363(1.77); C365(1.59)  LDD0748  [5]
 LDCM0432  CL42 HCT 116 C664(0.48); C673(0.48); C363(0.69); C365(0.96)  LDD0749  [5]
 LDCM0433  CL43 HCT 116 C664(0.53); C673(0.45); C363(1.36); C365(1.37)  LDD0750  [5]
 LDCM0434  CL44 HCT 116 C664(0.55); C673(0.52); C363(1.64); C365(1.45)  LDD0751  [5]
 LDCM0435  CL45 HCT 116 C664(0.43); C673(0.36); C363(1.15); C365(1.24)  LDD0752  [5]
 LDCM0436  CL46 HCT 116 C664(0.44); C673(0.44); C370(0.88); C401(0.71)  LDD0753  [5]
 LDCM0437  CL47 HCT 116 C664(0.52); C673(0.52); C370(1.22); C401(0.64)  LDD0754  [5]
 LDCM0438  CL48 HCT 116 C664(1.00); C673(1.00); C370(1.16); C401(1.41)  LDD0755  [5]
 LDCM0439  CL49 HCT 116 C664(0.63); C673(0.63); C370(0.98); C401(1.65)  LDD0756  [5]
 LDCM0440  CL5 HCT 116 C664(1.14); C365(0.90); C370(1.06); C553(1.12)  LDD0757  [5]
 LDCM0441  CL50 HCT 116 C664(0.74); C673(0.74); C370(0.95); C401(1.03)  LDD0758  [5]
 LDCM0442  CL51 HCT 116 C664(1.15); C673(1.15); C370(0.95); C401(1.34)  LDD0759  [5]
 LDCM0443  CL52 HCT 116 C664(0.93); C673(0.93); C370(1.54); C401(1.37)  LDD0760  [5]
 LDCM0444  CL53 HCT 116 C664(0.97); C673(0.97); C370(0.96); C401(2.01)  LDD0761  [5]
 LDCM0445  CL54 HCT 116 C664(0.69); C673(0.69); C370(1.03); C401(0.81)  LDD0762  [5]
 LDCM0446  CL55 HCT 116 C664(0.96); C673(0.96); C370(0.92); C401(1.27)  LDD0763  [5]
 LDCM0447  CL56 HCT 116 C664(0.51); C673(0.51); C370(1.22); C401(0.90)  LDD0764  [5]
 LDCM0448  CL57 HCT 116 C664(0.52); C673(0.52); C370(0.93); C401(0.52)  LDD0765  [5]
 LDCM0449  CL58 HCT 116 C664(1.36); C673(1.36); C370(1.17); C401(1.53)  LDD0766  [5]
 LDCM0450  CL59 HCT 116 C664(0.87); C673(0.87); C370(1.24); C401(1.55)  LDD0767  [5]
 LDCM0451  CL6 HCT 116 C664(0.96); C365(0.77); C370(1.12); C553(0.98)  LDD0768  [5]
 LDCM0452  CL60 HCT 116 C664(0.60); C673(0.60); C370(1.00); C401(1.03)  LDD0769  [5]
 LDCM0453  CL61 HCT 116 C664(1.02); C673(0.81); C322(0.99); C365(0.96)  LDD0770  [5]
 LDCM0454  CL62 HCT 116 C664(0.71); C673(0.57); C322(0.96); C365(0.98)  LDD0771  [5]
 LDCM0455  CL63 HCT 116 C664(0.82); C673(1.30); C322(1.01); C365(1.01)  LDD0772  [5]
 LDCM0456  CL64 HCT 116 C664(0.73); C673(0.70); C322(1.19); C365(1.39)  LDD0773  [5]
 LDCM0457  CL65 HCT 116 C664(0.83); C673(1.31); C322(1.08); C365(1.04)  LDD0774  [5]
 LDCM0458  CL66 HCT 116 C664(0.55); C673(0.53); C322(1.16); C365(1.26)  LDD0775  [5]
 LDCM0459  CL67 HCT 116 C664(0.82); C673(0.84); C322(1.28); C365(1.32)  LDD0776  [5]
 LDCM0460  CL68 HCT 116 C664(0.64); C673(0.63); C322(1.06); C365(1.09)  LDD0777  [5]
 LDCM0461  CL69 HCT 116 C664(0.68); C673(0.72); C322(0.93); C365(0.88)  LDD0778  [5]
 LDCM0462  CL7 HCT 116 C664(1.09); C365(0.92); C370(1.05); C553(1.15)  LDD0779  [5]
 LDCM0463  CL70 HCT 116 C664(0.83); C673(1.15); C322(1.02); C365(1.09)  LDD0780  [5]
 LDCM0464  CL71 HCT 116 C664(0.82); C673(0.87); C322(1.04); C365(1.14)  LDD0781  [5]
 LDCM0465  CL72 HCT 116 C664(1.07); C673(1.04); C322(1.02); C365(1.34)  LDD0782  [5]
 LDCM0466  CL73 HCT 116 C664(0.53); C673(0.68); C322(1.04); C365(1.04)  LDD0783  [5]
 LDCM0467  CL74 HCT 116 C664(0.88); C673(0.95); C322(1.05); C365(1.45)  LDD0784  [5]
 LDCM0469  CL76 HCT 116 C664(0.66); C673(1.05); C322(0.93); C363(0.79)  LDD0786  [5]
 LDCM0470  CL77 HCT 116 C664(0.45); C673(0.66); C322(0.85); C363(0.88)  LDD0787  [5]
 LDCM0471  CL78 HCT 116 C664(1.40); C673(1.13); C322(1.03); C363(0.85)  LDD0788  [5]
 LDCM0472  CL79 HCT 116 C664(0.58); C673(0.89); C322(1.30); C363(1.00)  LDD0789  [5]
 LDCM0473  CL8 HCT 116 C664(0.71); C365(0.94); C370(1.05); C553(0.85)  LDD0790  [5]
 LDCM0474  CL80 HCT 116 C664(0.80); C673(1.63); C322(1.02); C363(0.99)  LDD0791  [5]
 LDCM0475  CL81 HCT 116 C664(0.68); C673(0.78); C322(1.07); C363(1.04)  LDD0792  [5]
 LDCM0476  CL82 HCT 116 C664(0.59); C673(0.78); C322(1.12); C363(0.98)  LDD0793  [5]
 LDCM0477  CL83 HCT 116 C664(0.51); C673(0.91); C322(1.21); C363(0.92)  LDD0794  [5]
 LDCM0478  CL84 HCT 116 C664(0.49); C673(0.53); C322(1.38); C363(0.87)  LDD0795  [5]
 LDCM0479  CL85 HCT 116 C664(0.75); C673(0.94); C322(1.16); C363(0.84)  LDD0796  [5]
 LDCM0480  CL86 HCT 116 C664(0.55); C673(0.74); C322(0.95); C363(0.76)  LDD0797  [5]
 LDCM0481  CL87 HCT 116 C664(0.34); C673(0.54); C322(1.12); C363(0.85)  LDD0798  [5]
 LDCM0482  CL88 HCT 116 C664(0.67); C673(0.85); C322(1.24); C363(0.82)  LDD0799  [5]
 LDCM0483  CL89 HCT 116 C664(0.31); C673(0.42); C322(1.03); C363(0.94)  LDD0800  [5]
 LDCM0484  CL9 HCT 116 C664(0.99); C365(0.94); C370(1.01); C553(1.11)  LDD0801  [5]
 LDCM0485  CL90 HCT 116 C664(0.31); C673(0.45); C322(0.93); C363(0.64)  LDD0802  [5]
 LDCM0486  CL91 HCT 116 C673(0.42); C322(0.97); C370(0.89); C634(0.79)  LDD0803  [5]
 LDCM0487  CL92 HCT 116 C673(0.52); C322(0.90); C370(0.75); C634(0.64)  LDD0804  [5]
 LDCM0488  CL93 HCT 116 C673(0.50); C322(1.10); C370(1.23); C634(0.88)  LDD0805  [5]
 LDCM0489  CL94 HCT 116 C673(0.57); C322(1.06); C370(0.97); C634(0.62)  LDD0806  [5]
 LDCM0490  CL95 HCT 116 C673(0.44); C322(1.06); C370(0.77); C634(0.70)  LDD0807  [5]
 LDCM0491  CL96 HCT 116 C673(0.60); C322(1.00); C370(0.80); C634(1.06)  LDD0808  [5]
 LDCM0492  CL97 HCT 116 C673(0.61); C322(1.02); C370(0.79); C634(1.57)  LDD0809  [5]
 LDCM0493  CL98 HCT 116 C673(0.79); C322(1.09); C370(0.92); C634(0.94)  LDD0810  [5]
 LDCM0494  CL99 HCT 116 C673(0.43); C322(1.03); C370(0.94); C634(0.78)  LDD0811  [5]
 LDCM0495  E2913 HEK-293T C370(1.14); C539(1.04); C322(0.92); C114(1.00)  LDD1698  [9]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C175(7.48)  LDD1702  [3]
 LDCM0468  Fragment33 HCT 116 C664(0.66); C673(0.59); C322(0.98); C365(1.00)  LDD0785  [5]
 LDCM0427  Fragment51 HCT 116 C664(0.59); C673(0.64); C363(1.01); C365(1.06)  LDD0744  [5]
 LDCM0022  KB02 HCT 116 C563(4.86); C570(4.86); C539(1.82)  LDD0080  [5]
 LDCM0023  KB03 HCT 116 C563(4.67); C570(4.67); C539(2.73)  LDD0081  [5]
 LDCM0024  KB05 HCT 116 C563(6.05); C570(6.05); C539(2.56)  LDD0082  [5]
 LDCM0109  NEM HeLa N.A.  LDD0223  [4]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C370(1.05)  LDD2109  [3]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C370(1.02)  LDD2127  [3]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C370(1.19)  LDD2136  [3]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C370(0.94)  LDD2137  [3]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C370(1.28)  LDD2146  [3]
 LDCM0021  THZ1 HCT 116 C365(0.96); C370(1.14)  LDD2173  [5]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Transporter and channel
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Sorting nexin-18 (SNX18) Sorting nexin family Q96RF0
Other
Click To Hide/Show 3 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Endophilin-A1 (SH3GL2) Endophilin family Q99962
Protein kinase C and casein kinase substrate in neurons protein 3 (PACSIN3) PACSIN family Q9UKS6
Mitotic spindle assembly checkpoint protein MAD2B (MAD2L2) . Q9UI95

The Drug(s) Related To This Target

Phase 1
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Imgc936 Antibody drug conjugate DA4O8C
Investigative
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Incb7839 . DB05033

References

1 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
2 A chemical proteomics approach for global mapping of functional lysines on cell surface of living cell. Nat Commun. 2024 Apr 8;15(1):2997. doi: 10.1038/s41467-024-47033-w.
Mass spectrometry data entry: PXD042888
3 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
4 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.
5 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.
6 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
7 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
8 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.
9 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