Details of the Target

General Information of Target

Target ID LDTP04384
Target Name Cyclin-dependent kinase 9 (CDK9)
Gene Name CDK9
Gene ID 1025
Synonyms
CDC2L4; TAK; Cyclin-dependent kinase 9; EC 2.7.11.22; EC 2.7.11.23; C-2K; Cell division cycle 2-like protein kinase 4; Cell division protein kinase 9; Serine/threonine-protein kinase PITALRE; Tat-associated kinase complex catalytic subunit
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MAKQYDSVECPFCDEVSKYEKLAKIGQGTFGEVFKARHRKTGQKVALKKVLMENEKEGFP
ITALREIKILQLLKHENVVNLIEICRTKASPYNRCKGSIYLVFDFCEHDLAGLLSNVLVK
FTLSEIKRVMQMLLNGLYYIHRNKILHRDMKAANVLITRDGVLKLADFGLARAFSLAKNS
QPNRYTNRVVTLWYRPPELLLGERDYGPPIDLWGAGCIMAEMWTRSPIMQGNTEQHQLAL
ISQLCGSITPEVWPNVDNYELYEKLELVKGQKRKVKDRLKAYVRDPYALDLIDKLLVLDP
AQRIDSDDALNHDFFWSDPMPSDLKGMLSTHLTSMFEYLAPPRRKGSQITQQSTNQSRNP
ATTNQTEFERVF
Target Type
Clinical trial
Target Bioclass
Enzyme
Family
Protein kinase superfamily, CMGC Ser/Thr protein kinase family, CDC2/CDKX subfamily
Subcellular location
Nucleus
Function
Protein kinase involved in the regulation of transcription. Member of the cyclin-dependent kinase pair (CDK9/cyclin-T) complex, also called positive transcription elongation factor b (P-TEFb), which facilitates the transition from abortive to productive elongation by phosphorylating the CTD (C-terminal domain) of the large subunit of RNA polymerase II (RNAP II) POLR2A, SUPT5H and RDBP. This complex is inactive when in the 7SK snRNP complex form. Phosphorylates EP300, MYOD1, RPB1/POLR2A and AR and the negative elongation factors DSIF and NELFE. Regulates cytokine inducible transcription networks by facilitating promoter recognition of target transcription factors (e.g. TNF-inducible RELA/p65 activation and IL-6-inducible STAT3 signaling). Promotes RNA synthesis in genetic programs for cell growth, differentiation and viral pathogenesis. P-TEFb is also involved in cotranscriptional histone modification, mRNA processing and mRNA export. Modulates a complex network of chromatin modifications including histone H2B monoubiquitination (H2Bub1), H3 lysine 4 trimethylation (H3K4me3) and H3K36me3; integrates phosphorylation during transcription with chromatin modifications to control co-transcriptional histone mRNA processing. The CDK9/cyclin-K complex has also a kinase activity towards CTD of RNAP II and can substitute for CDK9/cyclin-T P-TEFb in vitro. Replication stress response protein; the CDK9/cyclin-K complex is required for genome integrity maintenance, by promoting cell cycle recovery from replication arrest and limiting single-stranded DNA amount in response to replication stress, thus reducing the breakdown of stalled replication forks and avoiding DNA damage. In addition, probable function in DNA repair of isoform 2 via interaction with KU70/XRCC6. Promotes cardiac myocyte enlargement. RPB1/POLR2A phosphorylation on 'Ser-2' in CTD activates transcription. AR phosphorylation modulates AR transcription factor promoter selectivity and cell growth. DSIF and NELF phosphorylation promotes transcription by inhibiting their negative effect. The phosphorylation of MYOD1 enhances its transcriptional activity and thus promotes muscle differentiation. Catalyzes phosphorylation of KAT5, promoting KAT5 recruitment to chromatin and histone acetyltransferase activity.
TTD ID
T44458
Uniprot ID
P50750
DrugMap ID
TT1LVF2
Ensemble ID
ENST00000373264.5
HGNC ID
HGNC:1780
ChEMBL ID
CHEMBL3116

Target Site Mutations in Different Cell Lines

Cell line Mutation details Probe for labeling this protein in this cell
LNCaP clone FGC SNV: p.D290Y .
MOLT4 SNV: p.K3N; p.L244F IA-alkyne    Probe Info 
NCIH1155 SNV: p.A340T .
NCIH2172 SNV: p.Y19H .
TCCSUP SNV: p.F30L .

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 20 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
m-APA
 Probe Info  		13.73  LDD0402  [1]
YN-1
 Probe Info  		100.00  LDD0444  [2]
IPM
 Probe Info  		N.A.  LDD0241  [3]
AHL-Pu-1
 Probe Info  		C85(2.89)  LDD0170  [4]
DBIA
 Probe Info  		C10(4.25)  LDD0209  [5]
AMP probe
 Probe Info  		N.A.  LDD0200  [6]
ATP probe
 Probe Info  		K151(0.00); K49(0.00)  LDD0199  [6]
4-Iodoacetamidophenylacetylene
 Probe Info  		N.A.  LDD0038  [7]
IA-alkyne
 Probe Info  		N.A.  LDD0032  [8]
IPIAA_L
 Probe Info  		N.A.  LDD0031  [9]
Lodoacetamide azide
 Probe Info  		N.A.  LDD0037  [7]
JW-RF-010
 Probe Info  		N.A.  LDD0026  [10]
NAIA_4
 Probe Info  		N.A.  LDD2226  [11]
NHS
 Probe Info  		N.A.  LDD0010  [12]
STPyne
 Probe Info  		N.A.  LDD0009  [12]
Acrolein
 Probe Info  		N.A.  LDD0217  [13]
Methacrolein
 Probe Info  		N.A.  LDD0218  [13]
AOyne
 Probe Info  		13.30  LDD0443  [14]
NAIA_5
 Probe Info  		N.A.  LDD2223  [11]
HHS-482
 Probe Info  		Y5(0.46)  LDD2239  [15]
PAL-AfBPP Probe
Click To Hide/Show 11 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
C087
 Probe Info  		9.32  LDD1779  [16]
C147
 Probe Info  		9.71  LDD1829  [16]
C243
 Probe Info  		12.47  LDD1916  [16]
C356
 Probe Info  		8.63  LDD2017  [16]
C391
 Probe Info  		15.35  LDD2050  [16]
FFF probe11
 Probe Info  		7.20  LDD0472  [17]
FFF probe13
 Probe Info  		18.36  LDD0475  [17]
FFF probe14
 Probe Info  		20.00  LDD0477  [17]
FFF probe3
 Probe Info  		18.67  LDD0464  [17]
STS-2
 Probe Info  		N.A.  LDD0139  [18]
Probe 12
 Probe Info  		N.A.  LDD0420  [19]

Competitor(s) Related to This Target

Competitor ID Name Cell line Binding Site(Ratio) Interaction ID Ref
 LDCM0025  4SU-RNA DM93 C85(2.89)  LDD0170  [4]
 LDCM0026  4SU-RNA+native RNA DM93 C85(2.43)  LDD0171  [4]
 LDCM0214  AC1 HEK-293T C245(0.94); C217(0.96); C85(1.06); C13(1.14)  LDD1507  [20]
 LDCM0215  AC10 HEK-293T C245(1.16); C217(1.16); C85(1.06); C10(1.00)  LDD1508  [20]
 LDCM0226  AC11 HEK-293T C245(1.09); C217(0.97); C85(1.03); C10(1.09)  LDD1509  [20]
 LDCM0237  AC12 HEK-293T C245(0.92); C217(1.04); C85(1.06); C10(1.02)  LDD1510  [20]
 LDCM0259  AC14 HEK-293T C245(1.14); C85(0.87); C10(1.09); C13(1.26)  LDD1512  [20]
 LDCM0270  AC15 HEK-293T C13(0.98)  LDD1513  [20]
 LDCM0276  AC17 HEK-293T C245(1.06); C217(1.20); C85(1.06); C13(1.10)  LDD1515  [20]
 LDCM0277  AC18 HEK-293T C245(1.15); C217(1.03); C85(0.93); C10(1.00)  LDD1516  [20]
 LDCM0278  AC19 HEK-293T C245(1.04); C217(1.00); C85(0.94); C10(1.04)  LDD1517  [20]
 LDCM0279  AC2 HEK-293T C245(1.20); C217(1.28); C85(0.97); C10(1.09)  LDD1518  [20]
 LDCM0280  AC20 HEK-293T C245(1.01); C217(0.89); C85(0.95); C10(0.99)  LDD1519  [20]
 LDCM0281  AC21 HEK-293T C245(1.00); C10(1.26)  LDD1520  [20]
 LDCM0282  AC22 HEK-293T C245(1.18); C85(0.88); C10(1.11); C13(0.96)  LDD1521  [20]
 LDCM0283  AC23 HEK-293T C13(1.02)  LDD1522  [20]
 LDCM0284  AC24 HEK-293T C245(0.97); C217(1.13); C85(0.91); C10(1.09)  LDD1523  [20]
 LDCM0285  AC25 HEK-293T C245(0.92); C217(0.98); C85(1.10); C13(1.05)  LDD1524  [20]
 LDCM0286  AC26 HEK-293T C245(1.39); C217(1.02); C85(0.90); C10(1.00)  LDD1525  [20]
 LDCM0287  AC27 HEK-293T C245(0.90); C217(1.19); C85(1.14); C10(1.07)  LDD1526  [20]
 LDCM0288  AC28 HEK-293T C245(1.00); C217(1.02); C85(1.00); C10(0.92)  LDD1527  [20]
 LDCM0289  AC29 HEK-293T C245(0.96); C10(1.06)  LDD1528  [20]
 LDCM0290  AC3 HEK-293T C245(0.82); C217(1.27); C85(1.02); C10(1.17)  LDD1529  [20]
 LDCM0291  AC30 HEK-293T C245(1.06); C85(0.97); C10(1.07); C13(1.13)  LDD1530  [20]
 LDCM0292  AC31 HEK-293T C13(0.94)  LDD1531  [20]
 LDCM0293  AC32 HEK-293T C245(1.01); C217(0.97); C85(0.93); C10(1.08)  LDD1532  [20]
 LDCM0294  AC33 HEK-293T C245(0.95); C217(1.17); C85(1.08); C13(1.02)  LDD1533  [20]
 LDCM0295  AC34 HEK-293T C245(1.14); C217(1.12); C85(0.93); C10(1.14)  LDD1534  [20]
 LDCM0296  AC35 HEK-293T C245(1.02); C217(1.07); C85(1.25); C10(1.01)  LDD1535  [20]
 LDCM0297  AC36 HEK-293T C245(1.11); C217(1.04); C85(1.05); C10(1.05)  LDD1536  [20]
 LDCM0298  AC37 HEK-293T C245(0.89); C10(1.10)  LDD1537  [20]
 LDCM0299  AC38 HEK-293T C245(1.23); C85(0.95); C10(1.09); C13(1.05)  LDD1538  [20]
 LDCM0300  AC39 HEK-293T C13(1.03)  LDD1539  [20]
 LDCM0301  AC4 HEK-293T C245(0.97); C217(0.98); C85(1.04); C10(0.92)  LDD1540  [20]
 LDCM0302  AC40 HEK-293T C245(1.16); C217(0.99); C85(0.99); C10(1.00)  LDD1541  [20]
 LDCM0303  AC41 HEK-293T C245(1.10); C217(1.00); C85(1.01); C13(0.96)  LDD1542  [20]
 LDCM0304  AC42 HEK-293T C245(1.39); C217(0.98); C85(0.98); C10(0.96)  LDD1543  [20]
 LDCM0305  AC43 HEK-293T C245(0.93); C217(1.18); C85(1.01); C10(0.98)  LDD1544  [20]
 LDCM0306  AC44 HEK-293T C245(0.99); C217(0.95); C85(1.00); C10(0.96)  LDD1545  [20]
 LDCM0307  AC45 HEK-293T C245(0.93); C10(1.14)  LDD1546  [20]
 LDCM0308  AC46 HEK-293T C245(1.01); C85(1.00); C10(1.13); C13(0.93)  LDD1547  [20]
 LDCM0309  AC47 HEK-293T C13(1.06)  LDD1548  [20]
 LDCM0310  AC48 HEK-293T C245(0.98); C217(1.02); C85(1.00); C10(0.99)  LDD1549  [20]
 LDCM0311  AC49 HEK-293T C245(0.92); C217(1.01); C85(1.07); C13(1.08)  LDD1550  [20]
 LDCM0312  AC5 HEK-293T C245(1.53); C10(1.09)  LDD1551  [20]
 LDCM0313  AC50 HEK-293T C245(1.12); C217(0.95); C85(1.01); C10(1.04)  LDD1552  [20]
 LDCM0314  AC51 HEK-293T C245(0.82); C217(1.24); C85(1.02); C10(1.01)  LDD1553  [20]
 LDCM0315  AC52 HEK-293T C245(0.92); C217(1.04); C85(1.10); C10(1.00)  LDD1554  [20]
 LDCM0316  AC53 HEK-293T C245(0.95); C10(1.13)  LDD1555  [20]
 LDCM0317  AC54 HEK-293T C245(0.94); C85(0.93); C10(1.06); C13(1.06)  LDD1556  [20]
 LDCM0318  AC55 HEK-293T C13(0.94)  LDD1557  [20]
 LDCM0319  AC56 HEK-293T C245(1.01); C217(1.05); C85(1.05); C10(0.93)  LDD1558  [20]
 LDCM0320  AC57 HEK-293T C245(0.89); C217(1.03); C85(1.08); C13(1.24)  LDD1559  [20]
 LDCM0321  AC58 HEK-293T C245(1.19); C217(1.23); C85(0.99); C10(1.10)  LDD1560  [20]
 LDCM0322  AC59 HEK-293T C245(0.86); C217(1.30); C85(1.19); C10(0.96)  LDD1561  [20]
 LDCM0323  AC6 HEK-293T C245(0.91); C85(0.86); C10(1.09); C13(1.16)  LDD1562  [20]
 LDCM0324  AC60 HEK-293T C245(1.05); C217(1.01); C85(0.98); C10(0.98)  LDD1563  [20]
 LDCM0325  AC61 HEK-293T C245(1.03); C10(1.12)  LDD1564  [20]
 LDCM0326  AC62 HEK-293T C245(0.98); C85(0.99); C10(1.11); C13(1.21)  LDD1565  [20]
 LDCM0327  AC63 HEK-293T C13(1.06)  LDD1566  [20]
 LDCM0328  AC64 HEK-293T C245(1.06); C217(1.11); C85(0.95); C10(1.04)  LDD1567  [20]
 LDCM0334  AC7 HEK-293T C13(0.96)  LDD1568  [20]
 LDCM0345  AC8 HEK-293T C245(0.93); C217(1.01); C85(0.95); C10(1.04)  LDD1569  [20]
 LDCM0248  AKOS034007472 HEK-293T C245(1.18); C10(1.15)  LDD1511  [20]
 LDCM0356  AKOS034007680 HEK-293T C245(0.85); C217(1.19); C85(1.07); C13(1.21)  LDD1570  [20]
 LDCM0275  AKOS034007705 HEK-293T C245(0.93); C217(1.11); C85(1.00); C10(1.04)  LDD1514  [20]
 LDCM0156  Aniline NCI-H1299 11.72  LDD0403  [1]
 LDCM0108  Chloroacetamide HeLa N.A.  LDD0222  [13]
 LDCM0632  CL-Sc Hep-G2 C85(0.65)  LDD2227  [11]
 LDCM0367  CL1 HEK-293T C245(0.96); C217(1.01); C13(1.20)  LDD1571  [20]
 LDCM0368  CL10 HEK-293T C245(1.42); C85(1.02); C10(0.82); C13(1.16)  LDD1572  [20]
 LDCM0369  CL100 HEK-293T C245(1.10); C217(0.99); C85(0.91)  LDD1573  [20]
 LDCM0370  CL101 HEK-293T C245(1.36); C217(1.05); C13(1.23)  LDD1574  [20]
 LDCM0371  CL102 HEK-293T C245(1.00); C217(0.99); C85(1.06); C10(1.03)  LDD1575  [20]
 LDCM0372  CL103 HEK-293T C245(1.07); C217(0.94); C85(1.03); C10(0.92)  LDD1576  [20]
 LDCM0373  CL104 HEK-293T C245(1.10); C217(0.98); C85(1.03)  LDD1577  [20]
 LDCM0374  CL105 HEK-293T C245(1.19); C217(1.08); C13(1.04)  LDD1578  [20]
 LDCM0375  CL106 HEK-293T C245(1.00); C217(1.02); C85(1.01); C10(1.03)  LDD1579  [20]
 LDCM0376  CL107 HEK-293T C245(1.10); C217(0.94); C85(0.91); C10(1.07)  LDD1580  [20]
 LDCM0377  CL108 HEK-293T C245(0.97); C217(0.90); C85(1.03)  LDD1581  [20]
 LDCM0378  CL109 HEK-293T C245(1.31); C217(0.80); C13(1.09)  LDD1582  [20]
 LDCM0379  CL11 HEK-293T C13(0.92)  LDD1583  [20]
 LDCM0380  CL110 HEK-293T C245(1.00); C217(0.92); C85(1.00); C10(0.91)  LDD1584  [20]
 LDCM0381  CL111 HEK-293T C245(0.86); C217(0.95); C85(0.91); C10(0.88)  LDD1585  [20]
 LDCM0382  CL112 HEK-293T C245(0.97); C217(1.10); C85(1.04)  LDD1586  [20]
 LDCM0383  CL113 HEK-293T C245(1.13); C217(1.00); C13(1.01)  LDD1587  [20]
 LDCM0384  CL114 HEK-293T C245(1.05); C217(1.20); C85(1.09); C10(1.01)  LDD1588  [20]
 LDCM0385  CL115 HEK-293T C245(1.02); C217(0.93); C85(1.02); C10(1.05)  LDD1589  [20]
 LDCM0386  CL116 HEK-293T C245(1.00); C217(1.02); C85(1.08)  LDD1590  [20]
 LDCM0387  CL117 HEK-293T C245(1.25); C217(0.85); C13(0.99)  LDD1591  [20]
 LDCM0388  CL118 HEK-293T C245(0.91); C217(1.04); C85(1.21); C10(1.16)  LDD1592  [20]
 LDCM0389  CL119 HEK-293T C245(1.10); C217(1.01); C85(1.06); C10(0.91)  LDD1593  [20]
 LDCM0390  CL12 HEK-293T C245(0.97); C217(1.09); C85(1.18); C10(0.98)  LDD1594  [20]
 LDCM0391  CL120 HEK-293T C245(1.11); C217(0.99); C85(1.10)  LDD1595  [20]
 LDCM0392  CL121 HEK-293T C245(1.06); C217(1.19); C13(1.06)  LDD1596  [20]
 LDCM0393  CL122 HEK-293T C245(1.18); C217(1.15); C85(1.11); C10(1.03)  LDD1597  [20]
 LDCM0394  CL123 HEK-293T C245(1.04); C217(0.83); C85(0.96); C10(0.81)  LDD1598  [20]
 LDCM0395  CL124 HEK-293T C245(0.99); C217(1.15); C85(1.00)  LDD1599  [20]
 LDCM0396  CL125 HEK-293T C245(1.00); C217(1.11); C13(1.20)  LDD1600  [20]
 LDCM0397  CL126 HEK-293T C245(1.10); C217(1.16); C85(1.10); C10(1.11)  LDD1601  [20]
 LDCM0398  CL127 HEK-293T C245(1.06); C217(1.01); C85(1.10); C10(0.98)  LDD1602  [20]
 LDCM0399  CL128 HEK-293T C245(1.13); C217(1.21); C85(1.05)  LDD1603  [20]
 LDCM0400  CL13 HEK-293T C245(1.30); C217(1.24); C13(0.96)  LDD1604  [20]
 LDCM0401  CL14 HEK-293T C245(1.09); C217(1.09); C85(1.11); C10(1.12)  LDD1605  [20]
 LDCM0402  CL15 HEK-293T C245(0.97); C217(0.96); C85(1.12); C10(0.93)  LDD1606  [20]
 LDCM0403  CL16 HEK-293T C245(1.15); C217(1.11); C85(1.11)  LDD1607  [20]
 LDCM0404  CL17 HEK-293T C245(0.88); C217(0.97); C85(1.17); C13(1.29)  LDD1608  [20]
 LDCM0405  CL18 HEK-293T C245(1.29); C217(1.21); C85(1.12); C10(1.05)  LDD1609  [20]
 LDCM0406  CL19 HEK-293T C245(1.08); C217(1.25); C85(1.24); C10(1.11)  LDD1610  [20]
 LDCM0407  CL2 HEK-293T C245(1.12); C217(1.13); C85(1.22); C10(1.12)  LDD1611  [20]
 LDCM0408  CL20 HEK-293T C245(1.02); C217(0.95); C85(1.19); C10(1.11)  LDD1612  [20]
 LDCM0409  CL21 HEK-293T C245(1.15); C10(0.99)  LDD1613  [20]
 LDCM0410  CL22 HEK-293T C245(1.05); C85(1.10); C10(0.95); C13(1.12)  LDD1614  [20]
 LDCM0411  CL23 HEK-293T C13(0.99)  LDD1615  [20]
 LDCM0412  CL24 HEK-293T C245(1.05); C217(1.06); C85(1.17); C10(0.95)  LDD1616  [20]
 LDCM0413  CL25 HEK-293T C245(1.35); C217(1.08); C13(1.12)  LDD1617  [20]
 LDCM0414  CL26 HEK-293T C245(0.86); C217(1.14); C85(1.14); C10(1.15)  LDD1618  [20]
 LDCM0415  CL27 HEK-293T C245(1.08); C217(0.98); C85(0.98); C10(0.98)  LDD1619  [20]
 LDCM0416  CL28 HEK-293T C245(1.05); C217(1.10); C85(0.98)  LDD1620  [20]
 LDCM0417  CL29 HEK-293T C245(0.89); C217(0.91); C85(0.99); C13(1.37)  LDD1621  [20]
 LDCM0418  CL3 HEK-293T C245(1.00); C217(1.19); C85(1.06); C10(0.94)  LDD1622  [20]
 LDCM0419  CL30 HEK-293T C245(0.98); C217(0.98); C85(1.07); C10(1.12)  LDD1623  [20]
 LDCM0420  CL31 HEK-293T C245(0.84); C217(1.32); C85(1.11); C10(1.05)  LDD1624  [20]
 LDCM0421  CL32 HEK-293T C245(0.86); C217(0.93); C85(1.13); C10(0.97)  LDD1625  [20]
 LDCM0422  CL33 HEK-293T C245(0.87); C10(1.00)  LDD1626  [20]
 LDCM0423  CL34 HEK-293T C245(1.08); C85(1.02); C10(0.94); C13(1.01)  LDD1627  [20]
 LDCM0424  CL35 HEK-293T C13(0.98)  LDD1628  [20]
 LDCM0425  CL36 HEK-293T C245(0.93); C217(1.08); C85(1.18); C10(0.91)  LDD1629  [20]
 LDCM0426  CL37 HEK-293T C245(1.15); C217(0.95); C13(0.98)  LDD1630  [20]
 LDCM0428  CL39 HEK-293T C245(1.09); C217(0.87); C85(1.03); C10(1.00)  LDD1632  [20]
 LDCM0429  CL4 HEK-293T C245(1.07); C217(1.03); C85(1.07)  LDD1633  [20]
 LDCM0430  CL40 HEK-293T C245(1.07); C217(0.91); C85(1.03)  LDD1634  [20]
 LDCM0431  CL41 HEK-293T C245(1.04); C217(0.99); C85(1.00); C13(0.99)  LDD1635  [20]
 LDCM0432  CL42 HEK-293T C245(1.23); C217(1.31); C85(0.98); C10(1.18)  LDD1636  [20]
 LDCM0433  CL43 HEK-293T C245(1.12); C217(1.16); C85(1.25); C10(1.00)  LDD1637  [20]
 LDCM0434  CL44 HEK-293T C245(0.85); C217(0.96); C85(1.08); C10(0.98)  LDD1638  [20]
 LDCM0435  CL45 HEK-293T C245(0.90); C10(0.97)  LDD1639  [20]
 LDCM0436  CL46 HEK-293T C245(0.98); C85(0.99); C10(0.89); C13(1.06)  LDD1640  [20]
 LDCM0437  CL47 HEK-293T C13(0.92)  LDD1641  [20]
 LDCM0438  CL48 HEK-293T C245(0.92); C217(1.01); C85(1.19); C10(0.90)  LDD1642  [20]
 LDCM0439  CL49 HEK-293T C245(1.15); C217(1.27); C13(1.24)  LDD1643  [20]
 LDCM0440  CL5 HEK-293T C245(0.98); C217(1.44); C85(1.13); C13(1.03)  LDD1644  [20]
 LDCM0441  CL50 HEK-293T C245(1.10); C217(1.05); C85(1.07); C10(1.08)  LDD1645  [20]
 LDCM0443  CL52 HEK-293T C245(0.90); C217(1.14); C85(1.01)  LDD1646  [20]
 LDCM0444  CL53 HEK-293T C245(0.93); C217(1.15); C85(1.06); C13(1.04)  LDD1647  [20]
 LDCM0445  CL54 HEK-293T C245(1.23); C217(1.09); C85(1.16); C10(1.11)  LDD1648  [20]
 LDCM0446  CL55 HEK-293T C245(1.42); C217(1.13); C85(1.33); C10(1.17)  LDD1649  [20]
 LDCM0447  CL56 HEK-293T C245(0.98); C217(0.95); C85(1.11); C10(1.09)  LDD1650  [20]
 LDCM0448  CL57 HEK-293T C245(1.23); C10(1.02)  LDD1651  [20]
 LDCM0449  CL58 HEK-293T C245(1.11); C85(1.03); C10(0.93); C13(1.06)  LDD1652  [20]
 LDCM0450  CL59 HEK-293T C13(1.05)  LDD1653  [20]
 LDCM0451  CL6 HEK-293T C245(1.00); C217(1.03); C85(1.00); C10(1.05)  LDD1654  [20]
 LDCM0452  CL60 HEK-293T C245(0.93); C217(0.93); C85(1.09); C10(0.84)  LDD1655  [20]
 LDCM0453  CL61 HEK-293T C245(1.10); C217(1.01); C13(1.08)  LDD1656  [20]
 LDCM0454  CL62 HEK-293T C245(0.94); C217(1.08); C85(1.09); C10(1.06)  LDD1657  [20]
 LDCM0455  CL63 HEK-293T C245(1.22); C217(1.18); C85(1.05); C10(0.95)  LDD1658  [20]
 LDCM0456  CL64 HEK-293T C245(0.99); C217(0.88); C85(1.02)  LDD1659  [20]
 LDCM0457  CL65 HEK-293T C245(0.93); C217(1.11); C85(1.17); C13(1.06)  LDD1660  [20]
 LDCM0458  CL66 HEK-293T C245(1.28); C217(1.12); C85(1.05); C10(1.19)  LDD1661  [20]
 LDCM0459  CL67 HEK-293T C245(1.31); C217(1.17); C85(1.19); C10(1.03)  LDD1662  [20]
 LDCM0460  CL68 HEK-293T C245(0.90); C217(0.96); C85(1.07); C10(0.93)  LDD1663  [20]
 LDCM0461  CL69 HEK-293T C245(1.07); C10(0.99)  LDD1664  [20]
 LDCM0462  CL7 HEK-293T C245(0.95); C217(1.22); C85(1.13); C10(1.17)  LDD1665  [20]
 LDCM0463  CL70 HEK-293T C245(1.10); C85(1.04); C10(0.90); C13(0.96)  LDD1666  [20]
 LDCM0464  CL71 HEK-293T C13(0.95)  LDD1667  [20]
 LDCM0465  CL72 HEK-293T C245(0.84); C217(0.96); C85(1.03); C10(0.93)  LDD1668  [20]
 LDCM0466  CL73 HEK-293T C245(0.84); C217(0.96); C13(0.93)  LDD1669  [20]
 LDCM0467  CL74 HEK-293T C245(0.92); C217(1.17); C85(1.02); C10(1.05)  LDD1670  [20]
 LDCM0469  CL76 HEK-293T C245(1.08); C217(1.15); C85(1.02)  LDD1672  [20]
 LDCM0470  CL77 HEK-293T C245(1.04); C217(0.72); C85(1.03); C13(1.20)  LDD1673  [20]
 LDCM0471  CL78 HEK-293T C245(1.22); C217(1.01); C85(0.97); C10(1.11)  LDD1674  [20]
 LDCM0472  CL79 HEK-293T C245(0.98); C217(1.18); C85(1.08); C10(1.16)  LDD1675  [20]
 LDCM0473  CL8 HEK-293T C245(1.21); C217(0.92); C85(1.06); C10(0.91)  LDD1676  [20]
 LDCM0474  CL80 HEK-293T C245(1.02); C217(0.85); C85(1.16); C10(1.03)  LDD1677  [20]
 LDCM0475  CL81 HEK-293T C245(1.17); C10(1.05)  LDD1678  [20]
 LDCM0476  CL82 HEK-293T C245(1.10); C85(1.07); C10(0.96); C13(1.03)  LDD1679  [20]
 LDCM0477  CL83 HEK-293T C13(1.04)  LDD1680  [20]
 LDCM0478  CL84 HEK-293T C245(0.91); C217(1.07); C85(1.01); C10(0.88)  LDD1681  [20]
 LDCM0479  CL85 HEK-293T C245(1.28); C217(1.10); C13(1.05)  LDD1682  [20]
 LDCM0480  CL86 HEK-293T C245(1.01); C217(1.06); C85(0.94); C10(1.22)  LDD1683  [20]
 LDCM0481  CL87 HEK-293T C245(1.01); C217(1.00); C85(0.91); C10(1.12)  LDD1684  [20]
 LDCM0482  CL88 HEK-293T C245(1.06); C217(1.10); C85(1.08)  LDD1685  [20]
 LDCM0483  CL89 HEK-293T C245(0.74); C217(1.23); C85(1.11); C13(1.17)  LDD1686  [20]
 LDCM0484  CL9 HEK-293T C245(1.03); C10(1.07)  LDD1687  [20]
 LDCM0485  CL90 HEK-293T C245(1.01); C217(1.07); C85(1.05); C10(1.04)  LDD1688  [20]
 LDCM0486  CL91 HEK-293T C245(0.95); C217(1.18); C85(1.19); C10(1.11)  LDD1689  [20]
 LDCM0487  CL92 HEK-293T C245(1.00); C217(1.33); C85(1.06); C10(1.00)  LDD1690  [20]
 LDCM0488  CL93 HEK-293T C245(1.15); C10(1.00)  LDD1691  [20]
 LDCM0489  CL94 HEK-293T C245(1.01); C85(0.88); C10(0.95); C13(1.00)  LDD1692  [20]
 LDCM0490  CL95 HEK-293T C13(0.96)  LDD1693  [20]
 LDCM0491  CL96 HEK-293T C245(0.86); C217(1.05); C85(0.98); C10(0.91)  LDD1694  [20]
 LDCM0492  CL97 HEK-293T C245(1.15); C217(0.82); C13(1.04)  LDD1695  [20]
 LDCM0493  CL98 HEK-293T C245(0.92); C217(1.02); C85(1.04); C10(1.04)  LDD1696  [20]
 LDCM0494  CL99 HEK-293T C245(1.05); C217(1.00); C85(0.91); C10(0.93)  LDD1697  [20]
 LDCM0191  Compound 21 HEK-293T 8.53  LDD0508  [17]
 LDCM0190  Compound 34 HEK-293T 8.60  LDD0510  [17]
 LDCM0192  Compound 35 HEK-293T 4.80  LDD0509  [17]
 LDCM0193  Compound 36 HEK-293T 12.12  LDD0511  [17]
 LDCM0165  Compound 9 HL-60 N.A.  LDD0420  [19]
 LDCM0495  E2913 HEK-293T C245(1.11); C217(1.08); C85(0.95); C10(1.07)  LDD1698  [20]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C85(2.10)  LDD1702  [21]
 LDCM0625  F8 Ramos C85(1.48)  LDD2187  [22]
 LDCM0573  Fragment11 Ramos C85(0.89)  LDD2190  [22]
 LDCM0576  Fragment14 Ramos C85(0.87)  LDD2193  [22]
 LDCM0586  Fragment28 Ramos C85(1.16)  LDD2198  [22]
 LDCM0468  Fragment33 HEK-293T C245(1.19); C217(1.23); C85(0.93); C10(1.00)  LDD1671  [20]
 LDCM0566  Fragment4 Ramos C85(1.31)  LDD2184  [22]
 LDCM0427  Fragment51 HEK-293T C245(1.14); C217(1.35); C85(1.16); C10(1.02)  LDD1631  [20]
 LDCM0569  Fragment7 Ramos C85(1.06)  LDD2186  [22]
 LDCM0022  KB02 HEK-293T C85(1.03); C10(0.92); C13(0.97)  LDD1492  [20]
 LDCM0023  KB03 Jurkat C10(4.25)  LDD0209  [5]
 LDCM0024  KB05 COLO792 C85(1.46)  LDD3310  [23]
 LDCM0170  Structure8 Ramos 6.33  LDD0433  [24]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 5 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Heat shock protein HSP 90-alpha (HSP90AA1) Heat shock protein 90 family P07900
Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6 (JMJD6) JMJD6 family Q6NYC1
Serine/threonine-protein kinase ATR (ATR) PI3/PI4-kinase family Q13535
Serine/threonine-protein phosphatase 5 (PPP5C) PPP phosphatase family P53041
Peptidyl-prolyl cis-trans isomerase FKBP5 (FKBP5) . Q13451
Transporter and channel
Click To Hide/Show 2 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Hsp90 co-chaperone Cdc37 (CDC37) CDC37 family Q16543
Heat shock protein HSP 90-beta (HSP90AB1) Heat shock protein 90 family P08238
Transcription factor
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Signal transducer and activator of transcription 3 (STAT3) Transcription factor STAT family P40763
Other
Click To Hide/Show 7 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
ATR-interacting protein (ATRIP) ATRIP family Q8WXE1
Claspin (CLSPN) Claspin family Q9HAW4
Cyclin-T1 (CCNT1) Cyclin family O60563
Cyclin-T2 (CCNT2) Cyclin family O60583
Progranulin (GRN) Granulin family P28799
Protein HEXIM1 (HEXIM1) HEXIM family O94992
La-related protein 7 (LARP7) LARP7 family Q4G0J3

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
Trilaciclib . DB15442
Phase 2
Click To Hide/Show 2 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Flavopiridol Small molecular drug D0LF1U
P276-00 Small molecular drug D05IRT
Phase 1
Click To Hide/Show 6 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Btx-a51 Small molecular drug D5VMP4
Rgb-286638 Small molecular drug D03DKV
Sns-032 Small molecular drug D0S5RC
Tp-1287 Small molecular drug D2GJ4P
Azd4573 . D07KBM
Cyc065 . D0PL7P
Preclinical
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Nvp-2 Small molecular drug D0D5CQ
Investigative
Click To Hide/Show 17 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
3-((3,5-diamino-1h-pyrazol-4-yl)Diazenyl)Phenol Small molecular drug D0W0BL
4-(Phenyldiazenyl)-1h-pyrazole-3,5-diamine Small molecular drug D04UNQ
4-[(3,5-diamino-1h-pyrazol-4-yl)Diazenyl]Phenol Small molecular drug D0A5RM
Alvocidib Small molecular drug DB03496
Deschloroflavopiridol Small molecular drug D0CI3C
Meriolin 1 Small molecular drug D08KSQ
Meriolin 2 Small molecular drug D0U1WL
Meriolin 3 Small molecular drug D0S8VE
Meriolin 4 Small molecular drug D0B9YR
Meriolin 5 Small molecular drug D0H6CQ
Meriolin 6 Small molecular drug D0D0ZQ
Meriolin 7 Small molecular drug D0E3FK
Meriolin 8 Small molecular drug D01PEF
Pmid19115845c89s Small molecular drug D0T8NU
Pmid20873740c18 Small molecular drug D08HFG
Seliciclib Small molecular drug DB06195
Zotiraciclib . DB16656
Patented
Click To Hide/Show 26 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
1,5-di-substituted Pyridine Derivative 1 Small molecular drug D0UU0V
4-(Thiazol-5-yl)-pyrimidine Derivative 1 Small molecular drug D07QIP
4-(Thiazol-5-yl)-pyrimidine Derivative 2 Small molecular drug D01CJE
5-fluoro-n-(Pyridin-2-yl)Pyridin-2-amine Derivative 1 Small molecular drug D0V7RP
Alkyl Sulfone Derivative 1 Small molecular drug D05UJQ
Aminoarylpyridine Derivative 1 Small molecular drug D0FR3Z
Aryl Pyrimidine Derivative 1 Small molecular drug D03YMA
Benzothiazine Derivative 1 Small molecular drug D00BFF
Bipyridine Derivative 1 Small molecular drug D0TH7T
Diaryl Amine Derivative 1 Small molecular drug D0P4NP
Flavopiridol Analog 1 Small molecular drug D0P9WR
Indole-based Analog 13 Small molecular drug D0LX6X
N-(Pyridin-2-yl)Pyridine Methylsulfone Derivative 1 Small molecular drug D03EYT
N-(Pyridin-2-yl)Pyrimidin-4-amine Derivative 1 Small molecular drug D00DDX
N-(Pyridin-2-yl)Pyrimidin-4-amine Derivative 2 Small molecular drug D0QS2B
N-phenyl-pyrimidin-4-amine Derivative 1 Small molecular drug D0AY5G
Nitrogen Mustard Derivative 1 Small molecular drug D0LK4L
Oxazolyl Methylthiothiazole Derivative 1 Small molecular drug D0M5DX
Phenylpyridine Derivative 1 Small molecular drug D08DWG
Phenylpyridine Derivative 2 Small molecular drug D09PGP
Pmid26161698-compound-25 Small molecular drug D0GQ7L
Pmid26161698-compound-32 Small molecular drug D0SV2E
Pyrazinylpyridine Derivative 1 Small molecular drug D07VPQ
Pyrazolo[1,5-a]-1,3,5-triazine Derivative 1 Small molecular drug D0NB7Y
Roscovitine Derivative 1 Small molecular drug D07DUX
Tricyclic Benzimidazole Derivative 1 Small molecular drug D0NY7M
Discontinued
Click To Hide/Show 3 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Bay 10-00394 Small molecular drug D0NV9O
Sch 727965 Small molecular drug D0D3PX
Zk 304709 Small molecular drug D00VBT

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 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.
3 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.
4 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
5 Covalent Inhibition by a Natural Product-Inspired Latent Electrophile. J Am Chem Soc. 2023 May 24;145(20):11097-11109. doi: 10.1021/jacs.3c00598. Epub 2023 May 15.
6 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.
7 Enhancing Cysteine Chemoproteomic Coverage through Systematic Assessment of Click Chemistry Product Fragmentation. Anal Chem. 2022 Mar 8;94(9):3800-3810. doi: 10.1021/acs.analchem.1c04402. Epub 2022 Feb 23.
Mass spectrometry data entry: PXD028853
8 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
9 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
10 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
11 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
12 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
13 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.
14 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.
15 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.
16 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
17 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.
18 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.
19 A Photoaffinity Displacement Assay and Probes to Study the Cyclin-Dependent Kinase Family. Angew Chem Int Ed Engl. 2019 Nov 25;58(48):17322-17327. doi: 10.1002/anie.201906321. Epub 2019 Oct 31.
20 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
21 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
22 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
23 DrugMap: A quantitative pan-cancer analysis of cysteine ligandability. Cell. 2024 May 9;187(10):2536-2556.e30. doi: 10.1016/j.cell.2024.03.027. Epub 2024 Apr 22.
Mass spectrometry data entry: PXD047840
24 2-Sulfonylpyridines as Tunable, Cysteine-Reactive Electrophiles. J Am Chem Soc. 2020 May 13;142(19):8972-8979. doi: 10.1021/jacs.0c02721. Epub 2020 Apr 29.