Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0193
Competitor Name
Compound 36
Synonyms
N-cyclohexyl-3-oxo-3H-benzo[f]chromene-2-carboxamide; STL352898; AKOS000419326
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 321.4
Lipid-water partition coefficient (xlogp) 4.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C20H19NO3
IUPAC Name
N-cyclohexyl-3-oxobenzo[f]chromene-2-carboxamide
Canonical SMILES
C1CCC(CC1)NC(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O
InChI
InChI=1S/C20H19NO3/c22-19(21-14-7-2-1-3-8-14)17-12-16-15-9-5-4-6-13(15)10-11-18(16)24-20(17)23/h4-6,9-12,14H,1-3,7-8H2,(H,21,22)
InChIKey
ZGIFJFOWLMETRJ-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

84 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
26S proteasome regulatory subunit 4 (PSMC1) LDTP04962 6.68  LDD0511 
26S proteasome regulatory subunit 8 (PSMC5) LDTP04963 4.27  LDD0511 
3-ketodihydrosphingosine reductase (KDSR) LDTP05476 8.26  LDD0494 
Adenosine 5'-monophosphoramidase HINT1 (HINT1) LDTP04306 3.13  LDD0511 
Adenosine kinase (ADK) LDTP04689 5.99  LDD0494 
ADP-dependent glucokinase (ADPGK) LDTP11127 6.31  LDD0511 
ADP-ribosylation factor 5 (ARF5) LDTP05193 8.09  LDD0511 
Alanine--tRNA ligase, mitochondrial (AARS2) LDTP07015 7.96  LDD0511 
Alpha-N-acetylglucosaminidase (NAGLU) LDTP04634 9.52  LDD0511 
Apoptosis-inducing factor 1, mitochondrial (AIFM1) LDTP01687 10.26  LDD0494 
ATP synthase subunit beta, mitochondrial (ATP5F1B) LDTP02150 3.51  LDD0494 
ATP-dependent Clp protease proteolytic subunit, mitochondrial (CLPP) LDTP06618 8.81  LDD0494 
Beta-1,4-glucuronyltransferase 1 (B4GAT1) LDTP00783 7.75  LDD0511 
Beta-galactosidase (GLB1) LDTP02837 4.65  LDD0494 
Beta-hexosaminidase subunit alpha (HEXA) LDTP02169 8.86  LDD0511 
Beta-hexosaminidase subunit beta (HEXB) LDTP02216 4.56  LDD0494 
Carnitine O-palmitoyltransferase 2, mitochondrial (CPT2) LDTP03257 7.38  LDD0494 
Cathepsin D (CTSD) LDTP02198 12.90  LDD0494 
COP9 signalosome complex subunit 4 (COPS4) LDTP11187 8.66  LDD0511 
Creatine kinase B-type (CKB) LDTP02616 3.06  LDD0511 
Cyclin-dependent kinase 9 (CDK9) LDTP04384 12.12  LDD0511 
Cytochrome b-c1 complex subunit 2, mitochondrial (UQCRC2) LDTP03189 6.94  LDD0494 
Cytochrome b5 type B (CYB5B) LDTP00697 4.47  LDD0494 
Cytochrome c oxidase subunit 2 (MT-CO2) LDTP01773 7.57  LDD0494 
dCTP pyrophosphatase 1 (DCTPP1) LDTP12013 5.65  LDD0494 
Dehydrogenase/reductase SDR family member 7 (DHRS7) LDTP13959 6.94  LDD0511 
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial (ECH1) LDTP05724 12.66  LDD0494 
DNA replication licensing factor MCM6 (MCM6) LDTP06150 8.62  LDD0494 
DNA replication licensing factor MCM7 (MCM7) LDTP03682 8.06  LDD0511 
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3B (STT3B) LDTP09388 8.91  LDD0511 
Epoxide hydrolase 1 (EPHX1) LDTP02175 3.90  LDD0494 
Eukaryotic initiation factor 4A-I (EIF4A1) LDTP04878 3.21  LDD0511 
Exonuclease 1 (EXO1) LDTP13751 7.55  LDD0494 
Fumarylacetoacetase (FAH) LDTP02868 4.68  LDD0511 
Gamma-glutamyl hydrolase (GGH) LDTP09886 4.07  LDD0511 
GTP-binding protein Rheb (RHEB) LDTP06371 9.26  LDD0511 
Haloacid dehalogenase-like hydrolase domain-containing protein 3 (HDHD3) LDTP15879 12.58  LDD0511 
Heme oxygenase 2 (HMOX2) LDTP03540 8.89  LDD0494 
Histidine--tRNA ligase, cytoplasmic (HARS1) LDTP02602 3.45  LDD0511 
Insulin-degrading enzyme (IDE) LDTP02743 3.92  LDD0511 
Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) LDTP01333 7.25  LDD0494 
Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) LDTP04211 11.17  LDD0494 
Isoleucine--tRNA ligase, mitochondrial (IARS2) LDTP12588 6.32  LDD0494 
Lanosterol 14-alpha demethylase (CYP51A1) LDTP06648 11.56  LDD0494 
Lanosterol synthase (LSS) LDTP04183 7.19  LDD0494 
Lysine--tRNA ligase (KARS1) LDTP06294 3.24  LDD0511 
Lysophospholipid acyltransferase 5 (LPCAT3) LDTP07504 9.80  LDD0494 
Lysosomal Pro-X carboxypeptidase (PRCP) LDTP04004 11.76  LDD0494 
Mitochondrial-processing peptidase subunit alpha (PMPCA) LDTP05632 12.99  LDD0511 
NAD(P) transhydrogenase, mitochondrial (NNT) LDTP05862 4.67  LDD0494 
NADH-ubiquinone oxidoreductase chain 5 (MT-ND5) LDTP01986 5.89  LDD0511 
Nardilysin (NRDC) LDTP00886 8.55  LDD0511 
Nicotinamide phosphoribosyltransferase (NAMPT) LDTP04051 8.89  LDD0494 
Obg-like ATPase 1 (OLA1) LDTP12610 3.50  LDD0511 
Palmitoyl-protein thioesterase ABHD10, mitochondrial (ABHD10) LDTP12628 3.12  LDD0494 
Pre-rRNA-processing protein TSR1 homolog (TSR1) LDTP14888 7.10  LDD0511 
Probable glutathione peroxidase 8 (GPX8) LDTP09495 5.85  LDD0511 
Probable serine carboxypeptidase CPVL (CPVL) LDTP15988 12.50  LDD0494 
Prolyl endopeptidase-like (PREPL) LDTP06849 3.95  LDD0511 
Prostaglandin reductase 2 (PTGR2) LDTP08979 13.25  LDD0494 
Proteasome subunit beta type-2 (PSMB2) LDTP04285 5.81  LDD0494 
Proteasome subunit beta type-5 (PSMB5) LDTP03419 5.49  LDD0494 
Protein O-GlcNAcase (OGA) LDTP00988 5.31  LDD0511 
Puromycin-sensitive aminopeptidase (NPEPPS) LDTP04712 8.93  LDD0511 
Ras-related protein Rab-24 (RAB24) LDTP10020 9.13  LDD0511 
Ras-related protein Rab-2B (RAB2B) LDTP09569 10.00  LDD0511 
Ribosomal protein S6 kinase alpha-1 (RPS6KA1) LDTP06384 6.60  LDD0494 
Ribosomal protein S6 kinase alpha-3 (RPS6KA3) LDTP04471 6.39  LDD0494 
RNA cytosine C(5)-methyltransferase NSUN2 (NSUN2) LDTP05588 6.63  LDD0511 
S-adenosylhomocysteine hydrolase-like protein 1 (AHCYL1) LDTP00890 8.40  LDD0511 
S-methyl-5'-thioadenosine phosphorylase (MTAP) LDTP05758 4.66  LDD0494 
Serine hydroxymethyltransferase, mitochondrial (SHMT2) LDTP03689 6.32  LDD0494 
Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A beta isoform (PPP2R1B) LDTP03523 6.69  LDD0511 
Serum paraoxonase/arylesterase 2 (PON2) LDTP06333 19.05  LDD0511 
Sphingosine-1-phosphate lyase 1 (SGPL1) LDTP01613 7.55  LDD0511 
Squalene monooxygenase (SQLE) LDTP06142 6.51  LDD0511 
Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating (NSDHL) LDTP06455 6.13  LDD0494 
Succinate dehydrogenase iron-sulfur subunit, mitochondrial (SDHB) LDTP03139 6.74  LDD0494 
Trifunctional enzyme subunit alpha, mitochondrial (HADHA) LDTP03912 6.21  LDD0494 
Ubiquitin carboxyl-terminal hydrolase 39 (USP39) LDTP06903 6.78  LDD0511 
Ubiquitin carboxyl-terminal hydrolase 7 (USP7) LDTP09962 3.98  LDD0511 
UDP-glucose:glycoprotein glucosyltransferase 1 (UGGT1) LDTP12851 18.35  LDD0511 
Very-long-chain 3-oxoacyl-CoA reductase (HSD17B12) LDTP06901 8.88  LDD0494 
Very-long-chain enoyl-CoA reductase (TECR) LDTP12867 7.52  LDD0511 
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⏷ Show the Full List of 84 Enzyme
23 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
ATP-binding cassette sub-family F member 1 (ABCF1) LDTP09149 10.75  LDD0511 
Calnexin (CANX) LDTP03405 7.94  LDD0511 
Cytoskeleton-associated protein 4 (CKAP4) LDTP05511 6.60  LDD0511 
Importin subunit alpha-1 (KPNA2) LDTP04501 6.51  LDD0511 
Membrane-associated progesterone receptor component 2 (PGRMC2) LDTP00562 9.39  LDD0511 
Methylosome subunit pICln (CLNS1A) LDTP04597 4.43  LDD0511 
MICOS complex subunit MIC26 (APOO) LDTP11250 10.10  LDD0511 
Mitochondrial carnitine/acylcarnitine carrier protein (SLC25A20) LDTP00865 9.39  LDD0494 
Mitochondrial dicarboxylate carrier (SLC25A10) LDTP13174 10.47  LDD0511 
Mitochondrial import inner membrane translocase subunit Tim17-B (TIMM17B) LDTP01059 8.26  LDD0494 
Mpv17-like protein 2 (MPV17L2) LDTP14952 11.56  LDD0511 
Peroxisomal membrane protein 2 (PXMP2) LDTP16069 10.20  LDD0511 
Prosaposin (PSAP) LDTP02215 8.44  LDD0494 
Protein FAM8A1 (FAM8A1) LDTP16190 6.12  LDD0511 
Scavenger receptor class B member 1 (SCARB1) LDTP09547 11.05  LDD0511 
Sorting nexin-1 (SNX1) LDTP05938 9.71  LDD0511 
Syntenin-1 (SDCBP) LDTP00310 12.12  LDD0511 
Translocating chain-associated membrane protein 1 (TRAM1) LDTP06426 10.26  LDD0511 
Transmembrane 9 superfamily member 3 (TM9SF3) LDTP18448 11.76  LDD0511 
Transportin-1 (TNPO1) LDTP09949 3.63  LDD0511 
Voltage-dependent anion-selective channel protein 1 (VDAC1) LDTP03132 12.74  LDD0494 
Voltage-dependent anion-selective channel protein 2 (VDAC2) LDTP04071 10.93  LDD0494 
Voltage-dependent anion-selective channel protein 3 (VDAC3) LDTP13824 6.84  LDD0494 
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⏷ Show the Full List of 23 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 5.21  LDD0494 
Y-box-binding protein 3 (YBX3) LDTP02870 16.61  LDD0511 
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60 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
26S proteasome non-ATPase regulatory subunit 11 (PSMD11) LDTP00223 4.26  LDD0511 
Annexin A7 (ANXA7) LDTP03030 8.77  LDD0511 
AP-3 complex subunit mu-1 (AP3M1) LDTP13908 6.24  LDD0511 
Arfaptin-1 (ARFIP1) LDTP04558 9.43  LDD0511 
BTB/POZ domain-containing protein KCTD12 (KCTD12) LDTP15705 3.74  LDD0494 
Caprin-1 (CAPRIN1) LDTP06121 9.14  LDD0511 
Clustered mitochondria protein homolog (CLUH) LDTP14486 3.98  LDD0494 
Coatomer subunit beta (COPB1) LDTP04570 10.10  LDD0511 
Coiled-coil domain-containing protein 6 (CCDC6) LDTP06515 7.75  LDD0511 
Condensin complex subunit 1 (NCAPD2) LDTP06281 4.04  LDD0511 
Condensin complex subunit 2 (NCAPH) LDTP06268 8.97  LDD0511 
Crk-like protein (CRKL) LDTP04092 6.41  LDD0511 
CYFIP-related Rac1 interactor B (CYRIB) LDTP12642 3.65  LDD0511 
DNA mismatch repair protein Msh6 (MSH6) LDTP04518 8.68  LDD0511 
Dynactin subunit 2 (DCTN2) LDTP05922 6.13  LDD0494 
Dynactin subunit 4 (DCTN4) LDTP13402 8.47  LDD0511 
Eukaryotic translation initiation factor 3 subunit E (EIF3E) LDTP04853 4.26  LDD0511 
Eukaryotic translation initiation factor 3 subunit L (EIF3L) LDTP13813 3.89  LDD0511 
Golgi integral membrane protein 4 (GOLIM4) LDTP00281 13.71  LDD0511 
Heat shock protein beta-1 (HSPB1) LDTP02053 5.42  LDD0511 
Junction plakoglobin (JUP) LDTP02756 6.19  LDD0511 
Kinetochore protein Spc24 (SPC24) LDTP09069 5.73  LDD0511 
Large proline-rich protein BAG6 (BAG6) LDTP04094 9.71  LDD0511 
Lipase maturation factor 2 (LMF2) LDTP15887 5.83  LDD0511 
Malignant T-cell-amplified sequence 1 (MCTS1) LDTP13532 8.20  LDD0511 
Mitochondrial antiviral-signaling protein (MAVS) LDTP08058 7.72  LDD0511 
Negative elongation factor C/D (NELFCD) LDTP08594 10.20  LDD0511 
Neudesin (NENF) LDTP13630 7.75  LDD0494 
Nuclear autoantigenic sperm protein (NASP) LDTP04241 3.48  LDD0511 
Nuclear migration protein nudC (NUDC) LDTP13817 4.97  LDD0511 
Nucleobindin-1 (NUCB1) LDTP05375 10.05  LDD0511 
Nucleobindin-2 (NUCB2) LDTP05160 12.05  LDD0511 
Nucleosome assembly protein 1-like 1 (NAP1L1) LDTP04684 7.22  LDD0511 
Nucleosome assembly protein 1-like 4 (NAP1L4) LDTP10965 7.90  LDD0511 
Optic atrophy 3 protein (OPA3) LDTP16006 8.51  LDD0511 
Phosphatidylethanolamine-binding protein 1 (PEBP1) LDTP03520 4.10  LDD0511 
Pre-mRNA-processing factor 6 (PRPF6) LDTP01456 7.85  LDD0511 
Proliferation marker protein Ki-67 (MKI67) LDTP04078 9.23  LDD0511 
Proteasome activator complex subunit 1 (PSME1) LDTP05484 3.50  LDD0494 
Proteasome activator complex subunit 3 (PSME3) LDTP04917 4.58  LDD0511 
Protein FAM114A2 (FAM114A2) LDTP16080 9.22  LDD0511 
Protein LYRIC (MTDH) LDTP08224 6.56  LDD0494 
Protein PRRC2A (PRRC2A) LDTP04199 8.66  LDD0511 
Protein PRRC2C (PRRC2C) LDTP14085 11.11  LDD0511 
Protein SET (SET) LDTP05277 3.77  LDD0511 
Protein unc-119 homolog B (UNC119B) LDTP00105 7.69  LDD0511 
Reticulon-3 (RTN3) LDTP01522 5.87  LDD0511 
Reticulon-4 (RTN4) LDTP12412 5.49  LDD0511 
Ribosome-binding protein 1 (RRBP1) LDTP13044 13.61  LDD0511 
Sorting nexin-9 (SNX9) LDTP14172 6.60  LDD0511 
Squamous cell carcinoma antigen recognized by T-cells 3 (SART3) LDTP06280 4.56  LDD0511 
Structural maintenance of chromosomes protein 1A (SMC1A) LDTP06181 5.59  LDD0511 
Syntaxin-18 (STX18) LDTP13086 13.07  LDD0511 
T-complex protein 1 subunit epsilon (CCT5) LDTP04201 3.06  LDD0511 
TATA-binding protein-associated factor 2N (TAF15) LDTP09881 5.04  LDD0494 
Tubulin beta chain (TUBB) LDTP02205 5.15  LDD0494 
Tubulin beta-2B chain (TUBB2B) LDTP11277 5.33  LDD0494 
Tubulin beta-3 chain (TUBB3) LDTP05904 5.39  LDD0494 
Tubulin beta-4B chain (TUBB4B) LDTP05076 5.45  LDD0494 
Tubulin beta-6 chain (TUBB6) LDTP11233 5.25  LDD0494 
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⏷ Show the Full List of 60 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 36
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  LDD0494  Download The Altas
  
Experiment 2 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 200 uM
Quantitative Method SILAC
Competitor Name Compound 36
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  LDD0511  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.