Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0191
Competitor Name
Compound 21
Synonyms
AKOS034746914; Z968724936
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 362.5
Lipid-water partition coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C23H26N2O2
IUPAC Name
7-methyl-4-[[2-[(N-methylanilino)methyl]pyrrolidin-1-yl]methyl]chromen-2-one
Canonical SMILES
CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCCC3CN(C)C4=CC=CC=C4
InChI
InChI=1S/C23H26N2O2/c1-17-10-11-21-18(14-23(26)27-22(21)13-17)15-25-12-6-9-20(25)16-24(2)19-7-4-3-5-8-19/h3-5,7-8,10-11,13-14,20H,6,9,12,15-16H2,1-2H3
InChIKey
QSICZGJWEAZIIK-UHFFFAOYSA-N

The Competitor Interaction Atlas

Probe(s) Related This Competitor

PAL-AfBPP Probe
Click To Hide/Show 1 Probe Related to This Competitor
Probe Name Structure Concentration Cell-system Ref
FFF probe3
 Probe Info  		200 uM Human normal cells (HEK-293T) [1]

Target(s) List of this Competitor

97 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
(E3-independent) E2 ubiquitin-conjugating enzyme (UBE2O) LDTP11601 3.11  LDD0508 
26S proteasome regulatory subunit 4 (PSMC1) LDTP04962 7.08  LDD0508 
26S proteasome regulatory subunit 8 (PSMC5) LDTP04963 4.98  LDD0508 
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 8.97  LDD0493 
Adenosine 5'-monophosphoramidase HINT1 (HINT1) LDTP04306 3.35  LDD0508 
Adenosine kinase (ADK) LDTP04689 6.13  LDD0493 
ADP-dependent glucokinase (ADPGK) LDTP11127 7.12  LDD0508 
ADP-ribosylation factor 5 (ARF5) LDTP05193 9.81  LDD0508 
Alanine--tRNA ligase, mitochondrial (AARS2) LDTP07015 3.10  LDD0508 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 11.56  LDD0508 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 11.30  LDD0493 
ATP synthase subunit beta, mitochondrial (ATP5F1B) LDTP02150 3.84  LDD0493 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 5.12  LDD0493 
Beta-1,4-glucuronyltransferase 1 (B4GAT1) LDTP00783 4.74  LDD0508 
Beta-galactosidase (GLB1) LDTP02837 5.60  LDD0493 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 7.79  LDD0508 
Beta-hexosaminidase subunit beta (HEXB) LDTP02216 20.41  LDD0493 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 8.73  LDD0493 
Cathepsin D (CTSD) LDTP02198 15.38  LDD0493 
COP9 signalosome complex subunit 4 (COPS4) LDTP11187 9.76  LDD0508 
Creatine kinase B-type (CKB) LDTP02616 3.52  LDD0508 
Cyclin-dependent kinase 2 (CDK2) LDTP03299 8.15  LDD0508 
Cyclin-dependent kinase 9 (CDK9) LDTP04384 8.53  LDD0508 
Cystathionine beta-synthase (CBS) LDTP03753 3.31  LDD0508 
Cytochrome b-c1 complex subunit 2, mitochondrial (UQCRC2) LDTP03189 9.65  LDD0493 
Cytochrome b5 type B (CYB5B) LDTP00697 8.33  LDD0493 
Cytochrome c oxidase subunit 2 (MT-CO2) LDTP01773 7.50  LDD0493 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 11.30  LDD0493 
Dehydrogenase/reductase SDR family member 7 (DHRS7) LDTP13959 6.17  LDD0508 
Delta(24)-sterol reductase (DHCR24) LDTP06375 3.32  LDD0493 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 6.67  LDD0493 
DNA replication licensing factor MCM4 (MCM4) LDTP03680 3.72  LDD0493 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 11.11  LDD0493 
DNA replication licensing factor MCM7 (MCM7) LDTP03682 8.22  LDD0508 
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3B (STT3B) LDTP09388 6.83  LDD0508 
Endothelin-converting enzyme 1 (ECE1) LDTP04008 16.13  LDD0493 
Epoxide hydrolase 1 (EPHX1) LDTP02175 6.21  LDD0508 
Eukaryotic initiation factor 4A-I (EIF4A1) LDTP04878 3.67  LDD0508 
Exonuclease 1 (EXO1) LDTP13751 7.84  LDD0493 
Fumarylacetoacetase (FAH) LDTP02868 5.48  LDD0508 
Gamma-glutamyl hydrolase (GGH) LDTP09886 3.89  LDD0508 
GTP-binding protein Rheb (RHEB) LDTP06371 7.09  LDD0508 
Haloacid dehalogenase-like hydrolase domain-containing protein 3 (HDHD3) LDTP15879 11.70  LDD0508 
Heme oxygenase 2 (HMOX2) LDTP03540 7.49  LDD0493 
Histidine--tRNA ligase, cytoplasmic (HARS1) LDTP02602 7.15  LDD0493 
Insulin-degrading enzyme (IDE) LDTP02743 5.21  LDD0508 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 8.02  LDD0493 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 11.83  LDD0493 
Isoleucine--tRNA ligase, mitochondrial (IARS2) LDTP12588 7.02  LDD0493 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 6.23  LDD0493 
Lanosterol synthase (LSS) LDTP04183 4.90  LDD0493 
Lysine--tRNA ligase (KARS1) LDTP06294 3.56  LDD0508 
Lysophospholipid acyltransferase 5 (LPCAT3) LDTP07504 8.73  LDD0493 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 3.75  LDD0493 
Mitochondrial-processing peptidase subunit alpha (PMPCA) LDTP05632 8.81  LDD0508 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 5.81  LDD0493 
NADH-ubiquinone oxidoreductase chain 5 (MT-ND5) LDTP01986 6.62  LDD0508 
Nardilysin (NRDC) LDTP00886 10.70  LDD0508 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 11.05  LDD0493 
Obg-like ATPase 1 (OLA1) LDTP12610 4.03  LDD0508 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 4.05  LDD0493 
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (PIN1) LDTP05912 3.60  LDD0508 
Pre-rRNA-processing protein TSR1 homolog (TSR1) LDTP14888 6.84  LDD0508 
Probable glutathione peroxidase 8 (GPX8) LDTP09495 5.60  LDD0508 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 4.73  LDD0493 
Prolyl endopeptidase-like (PREPL) LDTP06849 4.07  LDD0508 
Prostaglandin reductase 2 (PTGR2) LDTP08979 7.52  LDD0493 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 8.57  LDD0493 
Proteasome subunit beta type-5 (PSMB5) LDTP03419 10.53  LDD0493 
Protein O-GlcNAcase (OGA) LDTP00988 8.44  LDD0508 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 9.05  LDD0508 
Ras-related protein Rab-24 (RAB24) LDTP10020 9.22  LDD0508 
Ras-related protein Rab-2B (RAB2B) LDTP09569 8.73  LDD0508 
Retinoid-inducible serine carboxypeptidase (SCPEP1) LDTP16032 18.18  LDD0493 
Ribonucleoside-diphosphate reductase subunit M2 (RRM2) LDTP03592 10.42  LDD0508 
Ribosomal protein S6 kinase alpha-1 (RPS6KA1) LDTP06384 11.11  LDD0493 
Ribosomal protein S6 kinase alpha-3 (RPS6KA3) LDTP04471 10.00  LDD0493 
RNA cytosine C(5)-methyltransferase NSUN2 (NSUN2) LDTP05588 6.46  LDD0508 
S-adenosylhomocysteine hydrolase-like protein 1 (AHCYL1) LDTP00890 12.12  LDD0508 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 6.21  LDD0493 
Serine hydroxymethyltransferase, mitochondrial (SHMT2) LDTP03689 5.99  LDD0493 
Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A beta isoform (PPP2R1B) LDTP03523 6.80  LDD0508 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 4.73  LDD0508 
Sphingosine-1-phosphate lyase 1 (SGPL1) LDTP01613 6.31  LDD0508 
Squalene monooxygenase (SQLE) LDTP06142 9.13  LDD0508 
Squalene synthase (FDFT1) LDTP03842 5.57  LDD0493 
STE20-like serine/threonine-protein kinase (SLK) LDTP11819 6.69  LDD0508 
Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating (NSDHL) LDTP06455 9.13  LDD0493 
Succinate dehydrogenase iron-sulfur subunit, mitochondrial (SDHB) LDTP03139 8.01  LDD0493 
Thimet oligopeptidase (THOP1) LDTP04542 6.11  LDD0508 
Trifunctional enzyme subunit alpha, mitochondrial (HADHA) LDTP03912 6.75  LDD0493 
TRMT1-like protein (TRMT1L) LDTP15236 10.31  LDD0508 
Ubiquitin carboxyl-terminal hydrolase 7 (USP7) LDTP09962 3.93  LDD0508 
Ubiquitin thioesterase OTUB1 (OTUB1) LDTP10318 5.84  LDD0493 
UDP-glucose:glycoprotein glucosyltransferase 1 (UGGT1) LDTP12851 9.62  LDD0508 
Very-long-chain 3-oxoacyl-CoA reductase (HSD17B12) LDTP06901 6.19  LDD0493 
Very-long-chain enoyl-CoA reductase (TECR) LDTP12867 8.14  LDD0508 
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⏷ Show the Full List of 97 Enzyme
27 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 7.37  LDD0508 
ATP-binding cassette sub-family F member 1 (ABCF1) LDTP09149 11.56  LDD0508 
Calnexin (CANX) LDTP03405 6.47  LDD0508 
Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 8.13  LDD0508 
Hsp90 co-chaperone Cdc37 (CDC37) LDTP06549 3.31  LDD0508 
Importin subunit alpha-1 (KPNA2) LDTP04501 6.35  LDD0508 
Importin-4 (IPO4) LDTP09515 3.37  LDD0508 
Lysosome membrane protein 2 (SCARB2) LDTP06034 8.33  LDD0493 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 6.08  LDD0508 
MICOS complex subunit MIC26 (APOO) LDTP11250 6.56  LDD0508 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 3.55  LDD0508 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 9.66  LDD0508 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 6.31  LDD0493 
Mpv17-like protein 2 (MPV17L2) LDTP14952 5.54  LDD0508 
Nucleoporin NDC1 (NDC1) LDTP11213 7.30  LDD0493 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 6.49  LDD0508 
Prosaposin (PSAP) LDTP02215 12.50  LDD0493 
Putative lipid scramblase CLPTM1 (CLPTM1) LDTP01745 9.17  LDD0493 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 6.62  LDD0508 
Sorting nexin-1 (SNX1) LDTP05938 8.23  LDD0508 
Syntenin-1 (SDCBP) LDTP00310 9.43  LDD0508 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 8.20  LDD0508 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 8.62  LDD0508 
Transportin-1 (TNPO1) LDTP09949 4.05  LDD0508 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 12.05  LDD0493 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 11.17  LDD0493 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 6.19  LDD0493 
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⏷ Show the Full List of 27 Transporter and channel
2 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
DnaJ homolog subfamily C member 2 (DNAJC2) LDTP10891 8.85  LDD0493 
Y-box-binding protein 3 (YBX3) LDTP02870 8.96  LDD0508 
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65 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
17S U2 SnRNP complex component HTATSF1 (HTATSF1) LDTP00849 11.63  LDD0508 
26S proteasome non-ATPase regulatory subunit 11 (PSMD11) LDTP00223 4.66  LDD0508 
Annexin A7 (ANXA7) LDTP03030 8.26  LDD0508 
AP-3 complex subunit mu-1 (AP3M1) LDTP13908 6.24  LDD0508 
Arfaptin-1 (ARFIP1) LDTP04558 12.27  LDD0508 
BTB/POZ domain-containing protein KCTD12 (KCTD12) LDTP15705 5.46  LDD0493 
C-Jun-amino-terminal kinase-interacting protein 4 (SPAG9) LDTP00934 9.39  LDD0508 
Caprin-1 (CAPRIN1) LDTP06121 6.56  LDD0508 
Clustered mitochondria protein homolog (CLUH) LDTP14486 6.72  LDD0493 
Coatomer subunit beta (COPB1) LDTP04570 8.47  LDD0508 
Condensin complex subunit 1 (NCAPD2) LDTP06281 4.70  LDD0508 
Condensin complex subunit 2 (NCAPH) LDTP06268 11.30  LDD0508 
Crk-like protein (CRKL) LDTP04092 6.68  LDD0508 
CYFIP-related Rac1 interactor B (CYRIB) LDTP12642 3.58  LDD0508 
DNA mismatch repair protein Msh6 (MSH6) LDTP04518 7.46  LDD0508 
Dynactin subunit 2 (DCTN2) LDTP05922 10.00  LDD0493 
Dynactin subunit 4 (DCTN4) LDTP13402 5.63  LDD0508 
Elongation factor 1-beta (EEF1B2) LDTP03283 3.01  LDD0508 
Eukaryotic translation initiation factor 3 subunit E (EIF3E) LDTP04853 4.46  LDD0508 
Eukaryotic translation initiation factor 3 subunit L (EIF3L) LDTP13813 4.26  LDD0508 
Eukaryotic translation initiation factor 4H (EIF4H) LDTP06301 4.17  LDD0508 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 5.97  LDD0493 
Junction plakoglobin (JUP) LDTP02756 8.58  LDD0493 
Large proline-rich protein BAG6 (BAG6) LDTP04094 9.80  LDD0508 
Lipase maturation factor 2 (LMF2) LDTP15887 8.97  LDD0508 
Malignant T-cell-amplified sequence 1 (MCTS1) LDTP13532 10.10  LDD0508 
Mitochondrial antiviral-signaling protein (MAVS) LDTP08058 7.04  LDD0508 
Negative elongation factor C/D (NELFCD) LDTP08594 11.98  LDD0508 
Neudesin (NENF) LDTP13630 9.13  LDD0493 
Nuclear autoantigenic sperm protein (NASP) LDTP04241 3.50  LDD0508 
Nuclear migration protein nudC (NUDC) LDTP13817 6.20  LDD0508 
Nucleobindin-1 (NUCB1) LDTP05375 9.95  LDD0508 
Nucleobindin-2 (NUCB2) LDTP05160 10.00  LDD0508 
Nucleosome assembly protein 1-like 1 (NAP1L1) LDTP04684 8.54  LDD0508 
Nucleosome assembly protein 1-like 4 (NAP1L4) LDTP10965 8.77  LDD0508 
Optic atrophy 3 protein (OPA3) LDTP16006 12.66  LDD0508 
Phosphatidylethanolamine-binding protein 1 (PEBP1) LDTP03520 5.17  LDD0508 
Proliferation marker protein Ki-67 (MKI67) LDTP04078 5.71  LDD0508 
Proteasome activator complex subunit 1 (PSME1) LDTP05484 6.31  LDD0493 
Proteasome activator complex subunit 3 (PSME3) LDTP04917 5.04  LDD0508 
Protein FAM114A2 (FAM114A2) LDTP16080 8.10  LDD0508 
Protein LYRIC (MTDH) LDTP08224 7.63  LDD0493 
Protein PRRC2A (PRRC2A) LDTP04199 5.08  LDD0508 
Protein PRRC2C (PRRC2C) LDTP14085 6.62  LDD0508 
Protein SET (SET) LDTP05277 4.45  LDD0508 
Protein unc-119 homolog B (UNC119B) LDTP00105 8.13  LDD0508 
Ran-specific GTPase-activating protein (RANBP1) LDTP04049 3.34  LDD0508 
Reticulon-3 (RTN3) LDTP01522 8.10  LDD0508 
Reticulon-4 (RTN4) LDTP12412 4.88  LDD0493 
Ribosome-binding protein 1 (RRBP1) LDTP13044 11.24  LDD0508 
Sorting nexin-9 (SNX9) LDTP14172 11.36  LDD0508 
Squamous cell carcinoma antigen recognized by T-cells 3 (SART3) LDTP06280 6.14  LDD0508 
Structural maintenance of chromosomes protein 1A (SMC1A) LDTP06181 3.71  LDD0508 
Symplekin (SYMPK) LDTP09878 6.02  LDD0508 
Syntaxin-18 (STX18) LDTP13086 7.17  LDD0508 
T-complex protein 1 subunit epsilon (CCT5) LDTP04201 3.77  LDD0508 
TATA-binding protein-associated factor 2N (TAF15) LDTP09881 5.14  LDD0493 
Tropomyosin alpha-4 chain (TPM4) LDTP05068 8.96  LDD0508 
Tubulin beta chain (TUBB) LDTP02205 7.46  LDD0493 
Tubulin beta-2B chain (TUBB2B) LDTP11277 7.60  LDD0493 
Tubulin beta-3 chain (TUBB3) LDTP05904 7.59  LDD0493 
Tubulin beta-4B chain (TUBB4B) LDTP05076 7.92  LDD0493 
Tubulin beta-6 chain (TUBB6) LDTP11233 7.67  LDD0493 
Tubulin beta-8 chain (TUBB8) LDTP06809 4.44  LDD0508 
Tubulin-folding cofactor B (TBCB) LDTP10860 6.97  LDD0508 
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⏷ Show the Full List of 65 Other

Full Information of The Labelling Profiles of This Competitor

FFF probe3
 Probe Info 
Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 20 uM
Quantitative Method SILAC
Competitor Name Compound 21
Competitor Concentration 160 uM
In Vitro Experiment Model Model Type
Living cell
Derived Tissue
Peripheral blood
Disease Model Normal
Model Name Human normal cells (HEK-293T)
Interaction Atlas ID  LDD0493  Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 200 uM
Quantitative Method SILAC
Competitor Name Compound 21
Competitor Concentration 200 uM
In Vitro Experiment Model Model Type
Living cell
Derived Tissue
Peripheral blood
Disease Model Normal
Model Name Human normal cells (HEK-293T)
Interaction Atlas ID  LDD0508  Download The Altas

References

1 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.