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DB07431 - (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one


Identification
Name (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one
Accession Number DB07431
Type small molecule
Description Not Available
Structure
MOL SDF PDB SMILES InChI
Categories (*)
Molecular Weight 277.342
Groups experimental
Monoisotopic Weight 277.088497429
Pharmacology
Indication Not Available
Mechanism of action Not Available
Absorption Not Available
Protein binding Not Available
Biotransformation Not Available
Route of elimination Not Available
Toxicity Not Available
Affected organisms Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available

Targets


MAP kinase-activated protein kinase 2
Name MAP kinase-activated protein kinase 2
Gene Name MAPKAPK2
Pharmacological action unknown
Actions Not Available
References
  • Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. - Pubmed
DTHybrid score 1.1593
Cell division protein kinase 2
Name Cell division protein kinase 2
Gene Name CDK2
Pharmacological action unknown
Actions Not Available
References
  • Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. - Pubmed
DTHybrid score 1.6863

Predictions


Id Partner name Gene Name Score
6567 MAP kinase-activated protein kinase 3 MAPKAPK3 0.2981
6235 Cyclin-A2 CCNA2 0.2743
2473 Tyrosine-protein kinase CSK CSK 0.0274
2398 Tyrosine-protein kinase ZAP-70 ZAP70 0.0274
1742 D-HSCDK2 CDK2deltaT 0.025
2450 Tyrosine-protein kinase ITK/TSK ITK 0.0238
1771 Cell division control protein 2 homolog CDK1 0.023
3321 Cell division control protein 2 homolog CRK2 0.023
2530 Protein kinase C theta type PRKCQ 0.022
1058 Cell division protein kinase 5 CDK5 0.022
1721 Glycogen synthase kinase-3 beta GSK3B 0.0194
2408 Tyrosine-protein kinase SYK SYK 0.0191
2404 Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform PIK3CG 0.0167
2180 3-phosphoinositide-dependent protein kinase 1 PDPK1 0.016
937 Proto-oncogene tyrosine-protein kinase LCK LCK 0.016
2347 Proto-oncogene serine/threonine-protein kinase Pim-1 PIM1 0.0147
1422 Serine/threonine-protein kinase 6 AURKA 0.0123
1588 Multidrug resistance protein 1 ABCB1 0.0073
3959 Cell division protein kinase 4 CDK4 0.0073
1176 Mitogen-activated protein kinase 1 MAPK1 0.0069
6832 Serine/threonine-protein kinase SRPK2 SRPK2 0.006
6321 Cyclin-dependent kinase 5 activator 1 CDK5R1 0.0049
1714 Mitogen-activated protein kinase 3 MAPK3 0.0034
6893 Calcium/calmodulin-dependent protein kinase type II gamma chain CAMK2G 0.0032
2317 UDP-N-acetylmuramoylalanine--D-glutamate ligase murD 0.0031
5288 Shikimate kinase aroK 0.0031
5287 Signaling protein Not Available 0.003
5314 UPF0079 ATP-binding protein HI0065 HI_0065 0.003
3199 Phosphopantetheine adenylyltransferase coaD 0.003
3543 Phosphopantetheine adenylyltransferase coaD 0.003
3567 Phosphopantetheine adenylyltransferase coaD 0.003
5289 Phosphopantetheine adenylyltransferase coaD 0.003
5293 Shikimate kinase 2 aroL 0.003
5304 UPF0166 protein TM_0021 TM_0021 0.003
5276 Chromosomal replication initiator protein dnaA dnaA 0.003
5259 Transcriptional regulator ntrC1 0.003
6699 Transcriptional regulator Cgl2612 0.003
2874 Nitrogenase iron protein 1 nifH1 0.003
4346 Polynucleotide kinase pseT 0.003
5283 D-alanine--D-alanine ligase B ddlB 0.003
5281 Plasmid segregation protein parM parM 0.003
5299 D-alanine--D-alanine ligase ddl 0.003
6598 D-alanine--D-alanine ligase ddl 0.003
5292 Putative partitioning protein TT_C1605 0.003
5290 ATP-dependent hsl protease ATP-binding subunit hslU hslU 0.003
5638 ATP-dependent hsl protease ATP-binding subunit hslU hslU 0.003
5270 ATP-dependent Clp protease ATP-binding subunit clpX clpX 0.003
5305 Phosphoribosylaminoimidazole carboxylase ATPase subunit purK 0.003
5284 Large T antigen Not Available 0.003
5266 Activator of hgdC 0.003
5291 Glycogen synthase 1 glgA1 0.003
4794 Phosphoenolpyruvate carboxykinase [ATP] pckA 0.003
5275 Multidrug resistance ABC transporter ATP-binding and permease protein lmrA 0.003
5308 Preprotein translocase secA 1 subunit secA1 0.003
5315 Chaperone protein htpG htpG 0.003
3777 ATP-dependent Clp protease ATP-binding subunit clpA clpA 0.003
1549 Heat shock 70 kDa protein 1 HSPA1A 0.003
5277 Preprotein translocase subunit secA secA 0.003
5264 DNA replication protein REP 0.003
5285 Kinesin heavy chain KIF5B 0.003
3982 Phosphoribosylformylglycinamidine synthase PFAS 0.003
5261 Phosphoribosylformylglycinamidine synthase purL 0.003
6824 Tyrosine-protein kinase Lyn LYN 0.003
2599 Tyrosine-protein kinase HCK HCK 0.0028
3950 Cell division protein kinase 9 CDK9 0.0028
3968 Cell division protein kinase 8 CDK8 0.0028
4106 Guanylate kinase GUK1 0.0027
4516 Guanylate kinase gmk 0.0027
2270 Dephospho-CoA kinase coaE 0.0027
2751 Holliday junction ATP-dependent DNA helicase ruvB ruvB 0.0027
4755 Holliday junction ATP-dependent DNA helicase ruvB ruvB 0.0027
2284 Adenylate kinase adk 0.0027
2296 Adenylate kinase adk 0.0027
2311 Adenylate kinase adk 0.0027
2312 Adenylate kinase Not Available 0.0027
3175 Glutamate--cysteine ligase gshA 0.0027
3390 Aminoglycoside 3'-phosphotransferase aphA 0.0027
6029 Aminoglycoside 3'-phosphotransferase aphA1 0.0027
3470 Hypothetical protein MG245 homolog MPN_348 0.0027
3426 Glutamine synthetase glnA 0.0027
3987 Glutamine synthetase GLUL 0.0027
5295 2-keto-3-deoxy-gluconate kinase TT_P0036 0.0027
5646 Galactokinase GALK1 0.0026
4839 DNA polymerase III subunit tau dnaX 0.0026
4774 NTPase P4 Not Available 0.0026
413 Amidophosphoribosyltransferase PPAT 0.0026
2515 Amidophosphoribosyltransferase purF 0.0026
3714 Amidophosphoribosyltransferase purF 0.0026
5302 TrwB trwB 0.0026
4837 Cag-alfa cag-alfa 0.0026
5265 FtsH ftsH 0.0026
5189 Trimethylamine dehydrogenase tmd 0.0026
6277 Heat shock cognate 71 kDa protein HSPA8 0.0026
4838 PMS1 protein homolog 2 PMS2 0.0026
2390 Nonsecretory ribonuclease RNASE2 0.0024
2683 Mono-ADP-ribosyltransferase C3 C3 0.0024
2922 Glycerol kinase glpK 0.0024
3482 Cell division protein kinase 7 CDK7 0.0024
5271 Focal adhesion kinase 1 PTK2 0.0024
5312 Kinesin-like protein KIF1A KIF1A 0.0024
990 Dual specificity mitogen-activated protein kinase kinase 1 MAP2K1 0.0024
4341 Beta crystallin B1 CRYBB1 0.0024
4340 Hypothetical conserved protein GK2698 0.0024
6484 Hypothetical conserved protein TT_C0834 0.0024
4339 Sucrose phosphorylase sucP 0.0024
1434 Protein DJ-1 PARK7 0.0024
4336 Glyceraldehyde 3-phosphate dehydrogenase Not Available 0.0024
4436 Glyceraldehyde 3-phosphate dehydrogenase tthHB8IM 0.0024
4366 Riboflavin kinase/FMN adenylyltransferase TM_0857 0.0023
3669 Ribokinase rbsK 0.0023
2371 Pantothenate kinase coaA 0.0023
5278 Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthetase 1 PAPSS1 0.0023
2892 Acetylglutamate kinase argB 0.0023
3550 Acetylglutamate kinase argB 0.0023
2950 Inositol-trisphosphate 3-kinase A ITPKA 0.0023
6857 [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, mitochondrial PDK2 0.0023
825 Arsenical pump-driving ATPase ASNA1 0.0023
3435 Arsenical pump-driving ATPase arsA 0.0023
2615 Chemotaxis protein cheA cheA 0.0023
1881 Hexokinase-1 HK1 0.0023
3955 Cell division protein kinase 6 CDK6 0.0023
5300 Antigen peptide transporter 1 TAP1 0.0022
340 Apoptotic protease-activating factor 1 APAF1 0.0022
2727 S-adenosylmethionine synthetase metK 0.0022
6390 Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 ATP2A1 0.0022
408 Riboflavin kinase RFK 0.0022
2282 Protein recA recA 0.0022
2315 Protein recA recA 0.0022
2332 Protein recA recA 0.0022
5263 Protein recA recA 0.0022
2334 Dethiobiotin synthetase bioD 0.0021
6555 Dethiobiotin synthetase bioD 0.0021
2817 Phosphoribosylglycinamide formyltransferase 2 purT 0.0021
2697 Uridine-cytidine kinase 2 UCK2 0.0021
137 FolC bifunctional protein [Includes: Folylpolyglutamate synthase folC 0.0021
788 Creatine kinase M-type CKM 0.0021
3421 Hydroxyethylthiazole kinase thiM 0.0021
2688 Peptide deformylase def 0.0021
2708 Peptide deformylase def 0.0021
3004 Peptide deformylase def 0.0021
4337 Peptide deformylase def 0.0021
4338 Peptide deformylase def 0.0021
5368 Peptide deformylase def 0.0021
5371 Peptide deformylase def 0.0021
6375 Peptide deformylase def 0.0021
6378 Peptide deformylase def 0.0021
6379 Peptide deformylase def 0.0021
6776 Peptide deformylase def 0.0021
6900 Peptide deformylase def 0.0021
61 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase folK 0.0021
2644 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase folK 0.0021
2710 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase folK 0.0021
17 Proto-oncogene tyrosine-protein kinase ABL1 ABL1 0.002
6395 Myosin-14 MYH14 0.002
2091 Endoplasmin HSP90B1 0.0019
3105 M-phase inducer phosphatase 2 CDC25B 0.0019
4343 Alpha-glucosidase aglA 0.0019
48 Pyridoxal kinase PDXK 0.0019
453 S-adenosylmethionine synthetase isoform type-1 MAT1A 0.0019
2251 Thymidylate kinase tmk 0.0019
2254 Thymidylate kinase DTYMK 0.0019
3522 Thymidylate kinase tmk 0.0019
702 UMP-CMP kinase CMPK1 0.0019
3379 Kinesin-like protein KIF11 KIF11 0.0019
3456 Heat shock protein HSP 90-beta HSP90AB1 0.0018
3822 Actin, alpha skeletal muscle ACTA1 0.0018
2184 Cystic fibrosis transmembrane conductance regulator CFTR 0.0018
201 Glutamate dehydrogenase 1, mitochondrial GLUD1 0.0018
3168 Beta-lactamase OXA-1 bla 0.0018
4819 Hydrolase Not Available 0.0018
5249 Hydrolase Not Available 0.0018
5436 Hydrolase Not Available 0.0018
3230 Non-ATP-dependent L-selective hydantoinase lhyD 0.0018
3122 D-hydantoinase Not Available 0.0018
3145 D-hydantoinase hyuA 0.0018
207 Glutathione synthetase GSS 0.0017
5269 Glutathione synthetase gshB 0.0017
933 Proto-oncogene tyrosine-protein kinase Src SRC 0.0017
504 Mast/stem cell growth factor receptor KIT 0.0017
2840 Beta-lactamase IMP-1 Not Available 0.0017
509 Thymidine kinase TK 0.0017
570 Thymidine kinase TK 0.0017
2559 Thymidine kinase TK 0.0017
3430 Thymidine kinase tdk 0.0017
3518 Thymidine kinase TK 0.0017
5301 Thymidine kinase tdk 0.0017
5771 Thymidine kinase ORF36 0.0017
7009 Thymidine kinase ORF36 0.0017
5294 Nucleoside diphosphate kinase A NME1 0.0016
3873 Prolyl endopeptidase PREP 0.0015
6928 Prolyl endopeptidase Not Available 0.0015
3237 Beta-lactamase OXA-2 bla 0.0015
3292 Alanine racemase, catabolic dadX 0.0015
3281 Isoaspartyl dipeptidase iadA 0.0015
4264 Alpha-L-fucosidase, putative TM_0306 0.0015
5682 Ribonuclease pancreatic RNASE1 0.0015
844 Epidermal growth factor receptor EGFR 0.0015
631 3-hydroxy-3-methylglutaryl-coenzyme A reductase HMGCR 0.0015
3387 3-hydroxy-3-methylglutaryl-coenzyme A reductase mvaA 0.0015
2801 UDP-N-acetylmuramoylalanyl-D-glutamate--2,6-diaminopimelate ligase murE 0.0014
2983 Methylmalonyl-CoA carboxyltransferase 5S subunit Not Available 0.0014
1939 Heat shock protein HSP 90-alpha HSP90AA1 0.0014
4549 Endonuclease III HP_0602 0.0013
2646 Dihydroorotase pyrC 0.0013
4773 Deoxycytidine kinase DCK 0.0013
2717 Folylpolyglutamate synthase fgs 0.0013
1152 Glycogen phosphorylase, muscle form PYGM 0.0013
2340 Beta-lactamase PSE-2 bla 0.0012
2796 Parathion hydrolase opd 0.0012
6539 Parathion hydrolase opd 0.0012
894 Alanine racemase alr 0.0012
2453 Alanine racemase alr 0.0012
687 Tyrosine-protein phosphatase non-receptor type 1 PTPN1 0.0011
1732 ATP-binding cassette sub-family G member 2 ABCG2 0.0008
4512 Cytochrome P450 3A4 CYP3A4 0.0007
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