Details of the Probe

General Information of Probe

Probe ID
LDPC0207
Probe Name
DR-1
Synonyms
CHEMBL4640184; BDBM50538492
Probe Type
PAL-AfBPP Probe
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 644.7
Lipid-water partition coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 11
Chemical Identifiers
Formula
C34H35F3N8O2
IUPAC Name
N-[3-[[4-[2-(3-but-3-ynyldiazirin-3-yl)acetyl]piperazin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline-7-carboxamide
Canonical SMILES
CC1CN(CC2=C1C=CC(=C2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)CN4CCN(CC4)C(=O)CC5(N=N5)CCC#C)C6=CN=CN=C6
InChI
InChI=1S/C34H35F3N8O2/c1-3-4-7-33(41-42-33)16-31(46)44-10-8-43(9-11-44)20-24-12-27(34(35,36)37)15-28(13-24)40-32(47)25-5-6-30-23(2)19-45(21-26(30)14-25)29-17-38-22-39-18-29/h1,5-6,12-15,17-18,22-23H,4,7-11,16,19-21H2,2H3,(H,40,47)
InChIKey
QZBJIPGACUJRSR-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

30 Enzyme Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Aldehyde dehydrogenase family 3 member A2 (ALDH3A2) LDTP04437 5.08  LDD0398 
Aldehyde dehydrogenase family 3 member A2 (ALDH3A2) LDTP04437 5.08  LDD0398 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 2.54  LDD0398 
CAAX prenyl protease 1 homolog (ZMPSTE24) LDTP01328 2.54  LDD0398 
Catechol O-methyltransferase (COMT) LDTP03145 2.20  LDD0397 
Catechol O-methyltransferase (COMT) LDTP03145 2.20  LDD0397 
Cathepsin D (CTSD) LDTP02198 3.34  LDD0397 
Cathepsin D (CTSD) LDTP02198 3.34  LDD0397 
Cytochrome b5 type B (CYB5B) LDTP00697 7.48  LDD0398 
Cytochrome b5 type B (CYB5B) LDTP00697 7.48  LDD0398 
Minor histocompatibility antigen H13 (HM13) LDTP09396 4.87  LDD0398 
Minor histocompatibility antigen H13 (HM13) LDTP09396 4.87  LDD0398 
NADPH--cytochrome P450 reductase (POR) LDTP02848 3.46  LDD0398 
NADPH--cytochrome P450 reductase (POR) LDTP02848 3.46  LDD0398 
Neutral cholesterol ester hydrolase 1 (NCEH1) LDTP07591 2.03  LDD0398 
Neutral cholesterol ester hydrolase 1 (NCEH1) LDTP07591 2.03  LDD0398 
Ras-related protein Rab-11A (RAB11A) LDTP04992 5.29  LDD0398 
Ras-related protein Rab-11A (RAB11A) LDTP04992 5.29  LDD0398 
Ras-related protein Rab-2A (RAB2A) LDTP04892 2.05  LDD0398 
Ras-related protein Rab-2A (RAB2A) LDTP04892 2.05  LDD0398 
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 (ATP2A2) LDTP02860 2.27  LDD0398 
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 (ATP2A2) LDTP02860 2.27  LDD0398 
Signal peptidase complex subunit 2 (SPCS2) LDTP06270 3.19  LDD0398 
Signal peptidase complex subunit 2 (SPCS2) LDTP06270 3.19  LDD0398 
Thioredoxin-related transmembrane protein 1 (TMX1) LDTP11874 2.41  LDD0398 
Thioredoxin-related transmembrane protein 1 (TMX1) LDTP11874 2.41  LDD0398 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 4.85  LDD0398 
Tripeptidyl-peptidase 1 (TPP1) LDTP00428 4.85  LDD0398 
Very long chain fatty acid elongase 1 (ELOVL1) LDTP11311 2.04  LDD0398 
Very long chain fatty acid elongase 1 (ELOVL1) LDTP11311 2.04  LDD0398 
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⏷ Show the Full List of 30 Enzyme
32 Transporter and channel Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
B-cell receptor-associated protein 31 (BCAP31) LDTP04426 2.36  LDD0398 
B-cell receptor-associated protein 31 (BCAP31) LDTP04426 2.36  LDD0398 
Calnexin (CANX) LDTP03405 5.11  LDD0398 
Calnexin (CANX) LDTP03405 5.11  LDD0398 
CD151 antigen (CD151) LDTP04187 2.19  LDD0398 
CD151 antigen (CD151) LDTP04187 2.19  LDD0398 
Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 3.97  LDD0398 
Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 3.97  LDD0398 
Integrin beta-1 (ITGB1) LDTP02122 4.02  LDD0398 
Integrin beta-1 (ITGB1) LDTP02122 4.02  LDD0398 
Leucine-rich repeat-containing protein 59 (LRRC59) LDTP10081 2.17  LDD0398 
Leucine-rich repeat-containing protein 59 (LRRC59) LDTP10081 2.17  LDD0398 
Nuclear envelope integral membrane protein 1 (NEMP1) LDTP00361 2.51  LDD0398 
Nuclear envelope integral membrane protein 1 (NEMP1) LDTP00361 2.51  LDD0398 
PRA1 family protein 2 (PRAF2) LDTP01060 2.66  LDD0398 
PRA1 family protein 2 (PRAF2) LDTP01060 2.66  LDD0398 
Protein GPR107 (GPR107) LDTP07236 2.01  LDD0397 
Protein GPR107 (GPR107) LDTP07236 2.01  LDD0397 
Putative lipid scramblase CLPTM1 (CLPTM1) LDTP01745 4.43  LDD0398 
Putative lipid scramblase CLPTM1 (CLPTM1) LDTP01745 4.43  LDD0398 
Translocation protein SEC62 (SEC62) LDTP15838 2.83  LDD0398 
Translocation protein SEC62 (SEC62) LDTP15838 2.83  LDD0398 
Transmembrane 4 L6 family member 1 (TM4SF1) LDTP14661 3.59  LDD0398 
Transmembrane 4 L6 family member 1 (TM4SF1) LDTP14661 3.59  LDD0398 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 3.94  LDD0398 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 3.94  LDD0398 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 7.13  LDD0398 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 7.13  LDD0398 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 4.17  LDD0398 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 4.17  LDD0398 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 2.59  LDD0398 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 2.59  LDD0398 
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⏷ Show the Full List of 32 Transporter and channel
28 Other Labeled by This Probe
Target Name Target ID Binding Site(Ratio) Interaction ID
Emerin (EMD) LDTP04356 4.06  LDD0398 
Emerin (EMD) LDTP04356 4.06  LDD0398 
Integrin alpha-3 (ITGA3) LDTP03342 4.15  LDD0398 
Integrin alpha-3 (ITGA3) LDTP03342 4.15  LDD0398 
Keratin, type I cytoskeletal 18 (KRT18) LDTP02124 3.40  LDD0398 
Keratin, type I cytoskeletal 18 (KRT18) LDTP02124 3.40  LDD0398 
Keratin, type II cytoskeletal 8 (KRT8) LDTP02125 3.25  LDD0398 
Keratin, type II cytoskeletal 8 (KRT8) LDTP02125 3.25  LDD0398 
Lamina-associated polypeptide 2, isoforms beta/gamma (TMPO) LDTP03968 4.12  LDD0398 
Lamina-associated polypeptide 2, isoforms beta/gamma (TMPO) LDTP03968 4.12  LDD0398 
Melanoma-associated antigen 4 (MAGEA4) LDTP04041 2.99  LDD0398 
Melanoma-associated antigen 4 (MAGEA4) LDTP04041 2.99  LDD0398 
OCIA domain-containing protein 1 (OCIAD1) LDTP12755 4.25  LDD0398 
OCIA domain-containing protein 1 (OCIAD1) LDTP12755 4.25  LDD0398 
Perilipin-2 (PLIN2) LDTP10889 5.46  LDD0398 
Perilipin-2 (PLIN2) LDTP10889 5.46  LDD0398 
Perilipin-3 (PLIN3) LDTP01021 2.20  LDD0398 
Perilipin-3 (PLIN3) LDTP01021 2.20  LDD0398 
Prohibitin-2 (PHB2) LDTP10924 7.81  LDD0398 
Prohibitin-2 (PHB2) LDTP10924 7.81  LDD0398 
Protein YIF1B (YIF1B) LDTP06948 2.76  LDD0398 
Protein YIF1B (YIF1B) LDTP06948 2.76  LDD0398 
Protein YIPF5 (YIPF5) LDTP10013 2.03  LDD0398 
Protein YIPF5 (YIPF5) LDTP10013 2.03  LDD0398 
Reticulon-4 (RTN4) LDTP12412 6.68  LDD0398 
Reticulon-4 (RTN4) LDTP12412 6.68  LDD0398 
Signal recognition particle receptor subunit beta (SRPRB) LDTP16323 4.26  LDD0398 
Signal recognition particle receptor subunit beta (SRPRB) LDTP16323 4.26  LDD0398 
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⏷ Show the Full List of 28 Other

Competitor(s) Related To This Probe

Competitor ID Name Concentration Cell-system Ref
 LDCM0152  DR 10 uM Human lung large cell carcinoma cells (NCI-H1299) [1]

Full Information of The Labelling Profiles of This Probe

Quantification: Probe vs DMSO
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
1 uM
Quantitative Method
SILAC
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Lymph node
Disease Model
Lung large cell carcinoma [ICD-11:2C25]
Model Name
Human lung large cell carcinoma cells (NCI-H1299)
Interaction Atlas ID
 LDD0398 
Download The Altas
Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration
1 uM
Quantitative Method
SILAC
Competitor Name
DR
 Competitor Info 
Competitor Concentration
10 uM
In Vitro Experiment Model
Model Type
Living cell
Derived Tissue
Lymph node
Disease Model
Lung large cell carcinoma [ICD-11:2C25]
Model Name
Human lung large cell carcinoma cells (NCI-H1299)
Interaction Atlas ID
 LDD0397 
Download The Altas

References

1 Quantitative Proteomics Reveals Cellular Off-Targets of a DDR1 Inhibitor. ACS Med Chem Lett. 2020 Feb 5;11(4):535-540. doi: 10.1021/acsmedchemlett.9b00658. eCollection 2020 Apr 9.