Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0016
Competitor Name
Ranjitkar_cp1
Synonyms
1157857-36-7; N-{3-[(3-{4-[(4-Methoxyphenyl)amino]-1,3,5-Triazin-2-Yl}pyridin-2-Yl)amino]-4-Methylphenyl}-3-(Trifluoromethyl)benzamide; Benzamide, N-[3-[[3-[4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl]-2-pyridinyl]amino]-4-methylphenyl]-3-(trifluoromethyl)-; DSA7; DSA-7; GLXC-01966; AKOS040748281; Q27460568; G6I; N-[3-[[3-[4-(4-methoxyanilino)-1,3,5-triazin-2-yl]pyridin-2-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide; N-[3-[[3-[4-[(4-Methoxyphenyl)amino]-1,3,5-triazin-2-yl]-2-pyridinyl]amino]-4-methylphenyl]-3-(trifluoromethyl)-benzamide
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 571.6
Lipid-water partition coefficient (xlogp) 6.4
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 11
Chemical Identifiers
Formula
C30H24F3N7O2
IUPAC Name
N-[3-[[3-[4-(4-methoxyanilino)-1,3,5-triazin-2-yl]pyridin-2-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide
Canonical SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)NC3=C(C=CC=N3)C4=NC(=NC=N4)NC5=CC=C(C=C5)OC
InChI
InChI=1S/C30H24F3N7O2/c1-18-8-9-22(37-28(41)19-5-3-6-20(15-19)30(31,32)33)16-25(18)39-26-24(7-4-14-34-26)27-35-17-36-29(40-27)38-21-10-12-23(42-2)13-11-21/h3-17H,1-2H3,(H,34,39)(H,37,41)(H,35,36,38,40)
InChIKey
FLZNVZVIUIDCOF-UHFFFAOYSA-N

The Competitor Interaction Atlas

Probe(s) Related This Competitor

PAL-AfBPP Probe
Click To Hide/Show 2 Probe Related to This Competitor
Probe Name Structure Concentration Cell-system Ref
DFG-out-3
 Probe Info  		1 uM Human skin squamous cell carcinoma cell lysate (A431) [1]
Jackson_14
 Probe Info  		10 uM Human breast adenocarcinoma cells (MDA-MB-231) [2]

Target(s) List of this Competitor

84 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 2.94  LDD0123 
3-mercaptopyruvate sulfurtransferase (MPST) LDTP03319 3.03  LDD0123 
Acid ceramidase (ASAH1) LDTP05905 2.38  LDD0123 
Acyl-coenzyme A thioesterase 1 (ACOT1) LDTP08209 2.94  LDD0123 
Acyl-coenzyme A thioesterase 2, mitochondrial (ACOT2) LDTP04291 2.94  LDD0123 
Aldehyde dehydrogenase X, mitochondrial (ALDH1B1) LDTP03560 2.50  LDD0123 
Alkyldihydroxyacetonephosphate synthase, peroxisomal (AGPS) LDTP00186 2.00  LDD0123 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 3.03  LDD0123 
Asparagine synthetase [glutamine-hydrolyzing] (ASNS) LDTP02264 11.11  LDD0123 
ATP-citrate synthase (ACLY) LDTP04561 2.08  LDD0123 
Atypical kinase COQ8B, mitochondrial (COQ8B) LDTP10201 2.70  LDD0076 
Bifunctional epoxide hydrolase 2 (EPHX2) LDTP03692 2.00  LDD0074 
Casein kinase II subunit alpha (CSNK2A1) LDTP05077 2.38  LDD0123 
Ceramide glucosyltransferase (UGCG) LDTP06617 2.33  LDD0123 
Ceramide synthase 2 (CERS2) LDTP10329 2.33  LDD0123 
Cyclin-dependent kinase 1 (CDK1) LDTP02149 2.10  LDD0074 
Cyclin-G-associated kinase (GAK) LDTP00497 3.50  LDD0076 
Cytochrome b-c1 complex subunit 9 (UQCR10) LDTP13189 2.22  LDD0123 
Cytochrome c oxidase subunit 1 (MT-CO1) LDTP01772 2.38  LDD0123 
Cytochrome c oxidase subunit 2 (MT-CO2) LDTP01773 2.00  LDD0123 
Cytochrome c oxidase subunit 7A-related protein, mitochondrial (COX7A2L) LDTP14427 2.56  LDD0123 
Cytochrome P450 1B1 (CYP1B1) LDTP06608 3.57  LDD0123 
Cytochrome P450 2U1 (CYP2U1) LDTP08061 3.33  LDD0123 
Cytosolic non-specific dipeptidase (CNDP2) LDTP10514 2.13  LDD0123 
DGAT1/2-independent enzyme synthesizing storage lipids (TMEM68) LDTP19892 3.33  LDD0123 
Dipeptidyl peptidase 3 (DPP3) LDTP12803 2.00  LDD0123 
E3 ubiquitin-protein ligase MARCHF5 (MARCHF5) LDTP12757 2.78  LDD0123 
Ephrin type-A receptor 2 (EPHA2) LDTP03474 15.00  LDD0074 
Ephrin type-B receptor 2 (EPHB2) LDTP03477 15.00  LDD0074 
Ephrin type-B receptor 3 (EPHB3) LDTP04629 32.00  LDD0076 
Ephrin type-B receptor 4 (EPHB4) LDTP04631 35.00  LDD0074 
Flavin reductase (NADPH) (BLVRB) LDTP03511 2.08  LDD0123 
Focal adhesion kinase 1 (PTK2) LDTP05453 2.50  LDD0074 
Glycogen synthase kinase-3 beta (GSK3B) LDTP04319 3.60  LDD0074 
Hydroxysteroid dehydrogenase-like protein 2 (HSDL2) LDTP07762 33.33  LDD0123 
Isopentenyl-diphosphate Delta-isomerase 1 (IDI1) LDTP06006 2.17  LDD0123 
Lactoylglutathione lyase (GLO1) LDTP05434 3.85  LDD0123 
Leucine--tRNA ligase, cytoplasmic (LARS1) LDTP13056 4.30  LDD0074 
Lysocardiolipin acyltransferase 1 (LCLAT1) LDTP07679 2.17  LDD0123 
Mitogen-activated protein kinase 1 (MAPK1) LDTP03445 19.00  LDD0074 
Mitogen-activated protein kinase 10 (MAPK10) LDTP04584 2.50  LDD0074 
NADH dehydrogenase 1 alpha subcomplex subunit 9, mitochondrial (NDUFA9) LDTP06631 2.63  LDD0123 
NADH dehydrogenase iron-sulfur protein 2, mitochondrial (NDUFS2) LDTP01168 2.08  LDD0123 
NADH dehydrogenase iron-sulfur protein 7, mitochondrial (NDUFS7) LDTP01165 5.88  LDD0123 
Neutral alpha-glucosidase AB (GANAB) LDTP06192 2.08  LDD0123 
Neutral cholesterol ester hydrolase 1 (NCEH1) LDTP07591 2.17  LDD0123 
Peptidyl-prolyl cis-trans isomerase H (PPIH) LDTP00769 2.04  LDD0123 
Peroxisomal acyl-coenzyme A oxidase 3 (ACOX3) LDTP00589 2.94  LDD0123 
Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma (PIP4K2C) LDTP09355 3.90  LDD0074 
Phosphatidylserine synthase 1 (PTDSS1) LDTP04203 2.17  LDD0123 
Polypeptide N-acetylgalactosaminyltransferase 2 (GALNT2) LDTP05623 2.08  LDD0123 
Propionyl-CoA carboxylase beta chain, mitochondrial (PCCB) LDTP02096 2.08  LDD0123 
Prostaglandin E synthase (PTGES) LDTP00407 2.38  LDD0123 
Protein-tyrosine kinase 2-beta (PTK2B) LDTP06100 2.70  LDD0074 
Protein-tyrosine kinase 6 (PTK6) LDTP05996 7.70  LDD0074 
Proto-oncogene tyrosine-protein kinase Src (SRC) LDTP02638 14.00  LDD0074 
Protoporphyrinogen oxidase (PPOX) LDTP04353 3.45  LDD0123 
Ras-related protein Rab-11B (RAB11B) LDTP06501 2.08  LDD0123 
Ras-related protein Rab-5B (RAB5B) LDTP04893 2.04  LDD0123 
Ras-related protein Rab-6A (RAB6A) LDTP03051 2.63  LDD0123 
Ras-related protein Rab-6B (RAB6B) LDTP12538 2.86  LDD0123 
Ras-related protein Ral-A (RALA) LDTP02557 2.44  LDD0123 
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta (PDE6D) LDTP00907 10.50  LDD0074 
Serine--tRNA ligase, cytoplasmic (SARS1) LDTP04265 2.04  LDD0123 
Serine/threonine-protein kinase 10 (STK10) LDTP01420 2.70  LDD0074 
Serine/threonine-protein kinase TAO1 (TAOK1) LDTP07975 2.00  LDD0074 
Signal peptidase complex catalytic subunit SEC11A (SEC11A) LDTP05066 4.00  LDD0123 
Spermidine synthase (SRM) LDTP03008 9.90  LDD0074 
Sterol 26-hydroxylase, mitochondrial (CYP27A1) LDTP05348 2.27  LDD0123 
Sterol carrier protein 2 (SCP2) LDTP03163 12.50  LDD0123 
Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating (NSDHL) LDTP06455 2.40  LDD0074 
Sulfhydryl oxidase 2 (QSOX2) LDTP07813 2.08  LDD0123 
Synaptic vesicle membrane protein VAT-1 homolog (VAT1) LDTP10887 5.00  LDD0123 
Titin (TTN) LDTP09749 20.00  LDD0123 
Trifunctional enzyme subunit beta, mitochondrial (HADHB) LDTP04671 2.27  LDD0123 
Tripeptidyl-peptidase 2 (TPP2) LDTP03469 2.17  LDD0123 
Tyrosine-protein kinase CSK (CSK) LDTP03944 2.00  LDD0074 
Tyrosine-protein kinase FRK (FRK) LDTP03992 100.00  LDD0074 
Tyrosine-protein kinase JAK1 (JAK1) LDTP03230 2.27  LDD0123 
Tyrosine-protein kinase Yes (YES1) LDTP02231 5.50  LDD0076 
Tyrosine-protein phosphatase non-receptor type 12 (PTPN12) LDTP05449 2.04  LDD0123 
UDP-glucuronosyltransferase 1A10 (UGT1A10) LDTP12148 4.00  LDD0074 
Very-long-chain (3R)-3-hydroxyacyl-CoA dehydratase 3 (HACD3) LDTP12954 2.33  LDD0123 
Vitamin K epoxide reductase complex subunit 1-like protein 1 (VKORC1L1) LDTP08728 2.00  LDD0123 
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⏷ Show the Full List of 84 Enzyme
37 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Activator of 90 kDa heat shock protein ATPase homolog 1 (AHSA1) LDTP01601 2.04  LDD0123 
ATP synthase F(0) complex subunit B1, mitochondrial (ATP5PB) LDTP03284 2.50  LDD0123 
Bcl-2-like protein 1 (BCL2L1) LDTP05529 2.00  LDD0123 
Calcium load-activated calcium channel (TMCO1) LDTP13599 2.63  LDD0123 
Caveolin-1 (CAV1) LDTP05394 2.00  LDD0123 
CD81 antigen (CD81) LDTP04849 2.63  LDD0123 
Claudin domain-containing protein 1 (CLDND1) LDTP16136 2.27  LDD0123 
Cytochrome c oxidase subunit 5A, mitochondrial (COX5A) LDTP03064 2.78  LDD0123 
Endoplasmic reticulum membrane protein complex subunit 7 (EMC7) LDTP12331 2.63  LDD0123 
Equilibrative nucleoside transporter 1 (SLC29A1) LDTP10985 2.50  LDD0123 
ER membrane protein complex subunit 3 (EMC3) LDTP12958 2.50  LDD0123 
Growth hormone-inducible transmembrane protein (GHITM) LDTP11869 2.22  LDD0123 
Importin-7 (IPO7) LDTP01574 3.33  LDD0123 
Lysosomal-associated transmembrane protein 4A (LAPTM4A) LDTP06275 2.08  LDD0123 
Major prion protein (PRNP) LDTP02018 2.00  LDD0123 
Mitochondrial adenyl nucleotide antiporter SLC25A24 (SLC25A24) LDTP07472 2.08  LDD0123 
Mitochondrial carrier homolog 2 (MTCH2) LDTP14235 2.00  LDD0123 
Mitochondrial proton/calcium exchanger protein (LETM1) LDTP01525 2.13  LDD0123 
Mitochondrial pyruvate carrier 2 (MPC2) LDTP01631 3.23  LDD0123 
Oligosaccharyltransferase complex subunit OSTC (OSTC) LDTP12526 3.45  LDD0123 
PRA1 family protein 3 (ARL6IP5) LDTP01352 2.00  LDD0123 
Prosaposin (PSAP) LDTP02215 4.35  LDD0123 
Protein Mpv17 (MPV17) LDTP03869 4.55  LDD0123 
Protein transport protein Sec61 subunit alpha isoform 1 (SEC61A1) LDTP04932 2.08  LDD0123 
Protein unc-93 homolog B1 (UNC93B1) LDTP11760 2.00  LDD0123 
Proteolipid protein 2 (PLP2) LDTP05443 2.22  LDD0123 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 2.22  LDD0123 
Sideroflexin-1 (SFXN1) LDTP12090 2.17  LDD0123 
Sodium-coupled neutral amino acid symporter 2 (SLC38A2) LDTP10731 2.50  LDD0123 
Surfeit locus protein 4 (SURF4) LDTP00592 4.55  LDD0123 
Syntenin-1 (SDCBP) LDTP00310 2.04  LDD0123 
Transmembrane 9 superfamily member 4 (TM9SF4) LDTP09789 5.00  LDD0123 
Tricarboxylate transport protein, mitochondrial (SLC25A1) LDTP04553 2.13  LDD0123 
Ubiquilin-4 (UBQLN4) LDTP12533 2.10  LDD0074 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 3.57  LDD0123 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 2.56  LDD0123 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 8.33  LDD0123 
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⏷ Show the Full List of 37 Transporter and channel
1 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Paraspeckle component 1 (PSPC1) LDTP09694 2.13  LDD0123 
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2 Immunoglobulin Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
CD166 antigen (ALCAM) LDTP05973 2.44  LDD0123 
HLA class I histocompatibility antigen, C alpha chain (HLA-C) LDTP02491 2.00  LDD0123 
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45 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
ADP-ribosylation factor-like protein 6-interacting protein 1 (ARL6IP1) LDTP06291 2.63  LDD0123 
Arfaptin-2 (ARFIP2) LDTP04557 2.27  LDD0123 
Caprin-1 (CAPRIN1) LDTP06121 2.08  LDD0123 
Catenin beta-1 (CTNNB1) LDTP03712 2.00  LDD0123 
CCN family member 1 (CCN1) LDTP00323 2.33  LDD0123 
CD82 antigen (CD82) LDTP03399 2.22  LDD0123 
Cleavage stimulation factor subunit 3 (CSTF3) LDTP05719 2.00  LDD0123 
Coatomer subunit gamma-2 (COPG2) LDTP13110 7.90  LDD0074 
DnaJ homolog subfamily C member 11 (DNAJC11) LDTP12677 2.63  LDD0123 
DnaJ homolog subfamily C member 5 (DNAJC5) LDTP11894 2.63  LDD0123 
GPI transamidase component PIG-T (PIGT) LDTP10015 2.04  LDD0123 
Guanine nucleotide-binding protein G(i) subunit alpha-3 (GNAI3) LDTP02306 2.17  LDD0123 
Heat shock protein 75 kDa, mitochondrial (TRAP1) LDTP05697 2.50  LDD0123 
HIG1 domain family member 1A, mitochondrial (HIGD1A) LDTP13797 3.23  LDD0123 
Junction plakoglobin (JUP) LDTP02756 2.63  LDD0123 
Keratin, type I cytoskeletal 10 (KRT10) LDTP02674 16.67  LDD0123 
Keratin, type I cytoskeletal 14 (KRT14) LDTP01930 7.69  LDD0123 
Keratin, type I cytoskeletal 15 (KRT15) LDTP02974 5.88  LDD0123 
Keratin, type I cytoskeletal 16 (KRT16) LDTP02308 7.69  LDD0123 
Keratin, type I cytoskeletal 17 (KRT17) LDTP05424 8.33  LDD0123 
Keratin, type I cytoskeletal 9 (KRT9) LDTP03755 14.29  LDD0123 
Keratin, type II cytoskeletal 1 (KRT1) LDTP02031 16.67  LDD0123 
Lamina-associated polypeptide 2, isoforms beta/gamma (TMPO) LDTP03968 2.27  LDD0123 
Laminin subunit beta-3 (LAMB3) LDTP05974 3.03  LDD0123 
Large ribosomal subunit protein mL46 (MRPL46) LDTP15976 2.13  LDD0123 
LEM domain-containing protein 2 (LEMD2) LDTP09082 2.08  LDD0123 
Leukocyte elastase inhibitor (SERPINB1) LDTP03557 2.50  LDD0074 
LIM domain and actin-binding protein 1 (LIMA1) LDTP13260 2.22  LDD0123 
Malignant T-cell-amplified sequence 1 (MCTS1) LDTP13532 2.56  LDD0123 
MICOS complex subunit MIC27 (APOOL) LDTP07718 2.04  LDD0123 
Myristoylated alanine-rich C-kinase substrate (MARCKS) LDTP03503 2.04  LDD0123 
Nck-associated protein 1 (NCKAP1) LDTP13839 2.94  LDD0123 
OCIA domain-containing protein 1 (OCIAD1) LDTP12755 4.55  LDD0123 
Plasminogen activator inhibitor 1 (SERPINE1) LDTP02085 2.50  LDD0123 
Prohibitin-2 (PHB2) LDTP10924 2.13  LDD0123 
Protein FAM162A (FAM162A) LDTP10056 2.56  LDD0123 
Protein FAM3C (FAM3C) LDTP09773 2.00  LDD0123 
Protein YIF1B (YIF1B) LDTP06948 2.27  LDD0123 
Protein YIPF4 (YIPF4) LDTP11167 3.70  LDD0123 
Putative peripheral benzodiazepine receptor-related protein (TSPO) LDTP16716 2.10  LDD0074 
Small ribosomal subunit protein mS39 (PTCD3) LDTP10285 2.00  LDD0123 
Translationally-controlled tumor protein (TPT1) LDTP02683 2.00  LDD0123 
Transmembrane protein 43 (TMEM43) LDTP11210 2.13  LDD0123 
Tubulin-specific chaperone D (TBCD) LDTP11212 4.90  LDD0074 
U4/U6 small nuclear ribonucleoprotein Prp4 (PRPF4) LDTP00698 2.17  LDD0123 
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⏷ Show the Full List of 45 Other

Full Information of The Labelling Profiles of This Competitor

Jackson_14
 Probe Info 
Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [2]
Probe concentration 10 uM
Quantitative Method SILAC
Competitor Name Ranjitkar_cp1
Competitor Concentration 10 uM
In Vitro Experiment Model Model Type
Living cell
Derived Tissue
Breast
Disease Model Breast adenocarcinoma [ICD-11:2C60]
Model Name Human breast adenocarcinoma cells (MDA-MB-231)
Interaction Atlas ID  LDD0123  Download The Altas

DFG-out-3
 Probe Info 
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 Ranjitkar_cp1
Competitor Concentration 10 uM
In Vitro Experiment Model Model Type
Cell lysate
Derived Tissue
Skin
Disease Model Skin squamous cell carcinoma [ICD-11:2C31]
Model Name Human skin squamous cell carcinoma cell lysate (A431)
Interaction Atlas ID  LDD0074  Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 1 uM
Quantitative Method SILAC
Competitor Name Ranjitkar_cp1
Competitor Concentration 10 uM
In Vitro Experiment Model Model Type
Living cell
Derived Tissue
Skin
Disease Model Skin squamous cell carcinoma [ICD-11:2C31]
Model Name Human skin squamous cell carcinoma cells (A431)
Interaction Atlas ID  LDD0076  Download The Altas

References

1 Affinity-based probes based on type II kinase inhibitors. J Am Chem Soc. 2012 Nov 21;134(46):19017-25. doi: 10.1021/ja306035v. Epub 2012 Nov 6.
2 Appendage and Scaffold Diverse Fully Functionalized Small-Molecule Probes via a Minimalist Terminal Alkyne-Aliphatic Diazirine Isocyanide. J Org Chem. 2018 Sep 21;83(18):11245-11253. doi: 10.1021/acs.joc.8b01831. Epub 2018 Aug 31.