Detailed information for compound 302014

Basic information

Technical information
  • TDR Targets ID: 302014
  • Name: (6s)-5,6,7,8-Tetrahydrofolate
  • MW: 445.429 | Formula: C19H23N7O6
  • H donors: 8 H acceptors: 8 LogP: 0.42 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)CC[C@H](C(=O)O)NC(=O)c1ccc(cc1)NCC1CNc2c(N1)c(O)nc(n2)N
  • InChi: 1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)
  • InChiKey: MSTNYGQPCMXVAQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
  • 2-[[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
  • 2-[[4-[(2-azanyl-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid
  • 2-[[4-[(2-amino-4-keto-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid
  • 5,6,7,8-tetrahydrofolic acid
  • 2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid
  • 29347-89-5
  • DL-Glutamic acid, N-(4-(((2-amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-
  • N-(4-(((2-Amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)glutamic acid
  • (6S)-THFA
  • (6S)-Tetrahydrofolic acid
  • C00101
  • (6S)-tetrahydrofolate
  • 5,6,7,8-tetrahydrofolate
  • FH4
  • H4F
  • H4PteGlu
  • H4PteGlu1
  • folate-H4
  • tetra-H-folate
  • tetrahydrafolate
  • tetrahydrofolate
  • tetrahydrofolic acid
  • tetrahydropteroyl mono-L-glutamate
  • tetrahydropteroylglutamate
  • th-folate
  • glutamic acid, N-[4-[[(2-amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis mercuric reductase, putative 0.0213 0.3266 1
Trypanosoma brucei NADH dehydrogenase 0.0057 0.0643 0.0643
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0213 0.3266 0.307
Leishmania major hypothetical protein, conserved 0.0057 0.0643 0.0374
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0213 0.3266 0.3073
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0057 0.0643 0.0371
Plasmodium falciparum thioredoxin reductase 0.0616 1 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0044 0.0429 0.0151
Echinococcus granulosus tumor protein p63 0.033 0.5213 0.5074
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0213 0.3266 1
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0057 0.0643 0.0643
Giardia lamblia Glutamate synthase 0.0057 0.0643 0.0754
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0057 0.0643 0.1739
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0241 0.0473
Brugia malayi Dihydrofolate reductase 0.0079 0.1023 0.0762
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0057 0.0643 1
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0057 0.0643 0.0224
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0503 0.0227
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0057 0.0643 0.0371
Trichomonas vaginalis glutamate synthase, putative 0.0057 0.0643 0.1739
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0079 0.1023 0.0406
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0057 0.0643 0.1739
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0057 0.0643 0.1739
Schistosoma mansoni dihydrofolate reductase 0.0079 0.1023 0.0762
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0213 0.3266 0.307
Trypanosoma cruzi hypothetical protein, conserved 0.0057 0.0643 0.0374
Schistosoma mansoni hypothetical protein 0.0057 0.0643 0.0371
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0429 0.1065
Giardia lamblia Thioredoxin reductase 0.0057 0.0643 0.0754
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0057 0.0643 0.1739
Schistosoma mansoni hypothetical protein 0.0047 0.0483 0.0206
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0187 0.0304
Echinococcus granulosus glutamate synthase 0.0057 0.0643 0.0371
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0079 0.1023 0.145
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0213 0.3266 0.3073
Brugia malayi dihydrofolate reductase family protein 0.0079 0.1023 0.0762
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0057 0.0643 0.0371
Brugia malayi glutamate synthase 0.0057 0.0643 0.0371
Toxoplasma gondii thioredoxin reductase 0.0616 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0057 0.0643 0.0371
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0279 0.0592
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0134 0.0135
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0079 0.1023 0.145
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0057 0.0643 0.0374
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0134 0.0135
Brugia malayi hypothetical protein 0.0231 0.3557 0.3369
Toxoplasma gondii selenide, water dikinase 0.0057 0.0643 0.0412
Trypanosoma cruzi trypanothione reductase, putative 0.0213 0.3266 0.3073
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0213 0.3266 0.2803
Leishmania major NADH dehydrogenase, putative 0.0057 0.0643 0.0374
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0044 0.0429 0.4061
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0044 0.0429 0.0151
Schistosoma mansoni sulfide quinone reductase 0.0057 0.0643 0.0371
Trichomonas vaginalis glutathione reductase, putative 0.0213 0.3266 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0616 1 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0213 0.3266 1
Plasmodium falciparum glutathione reductase 0.0616 1 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0213 0.3266 0.3073
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0057 0.0643 0.1739
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0241 0.0473
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0057 0.0643 0.0371
Loa Loa (eye worm) hypothetical protein 0.0048 0.0503 0.0077
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0213 0.3266 0.3266
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0213 0.3266 0.3266
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0057 0.0643 0.0371
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0044 0.0429 0.0151
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0213 0.3266 0.3073
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0057 0.0643 0.0371
Toxoplasma gondii NADPH-glutathione reductase 0.0213 0.3266 0.31
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0057 0.0643 0.0643
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0213 0.3266 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0241 0.0473
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0213 0.3266 0.3073
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0057 0.0643 0.0643
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0057 0.0643 1
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.3557 0.3369
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0057 0.0643 0.0374
Chlamydia trachomatis dihydrofolate reductase 0.0079 0.1023 0.145
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0241 0.0473
Treponema pallidum NADH oxidase 0.0213 0.3266 1
Plasmodium falciparum thioredoxin reductase 0.0213 0.3266 0.2803
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0483 0.0206
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0213 0.3266 0.3073
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0044 0.0429 0.4061
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0057 0.0643 0.0374
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0057 0.0643 0.0374
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0079 0.1023 0.0765
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0213 0.3266 0.3073
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0241 0.0473
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0213 0.3266 0.3266
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.3557 0.3369
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0429 0.1065
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0129 0.0121
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0213 0.3266 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0044 0.0429 0.0429
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0057 0.0643 0.1739
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0279 0.0592
Leishmania major hypothetical protein, conserved 0.0057 0.0643 0.0374
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0057 0.0643 1
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0021 0.0042 0.0042
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0057 0.0643 0.0412
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0213 0.3266 0.307
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0213 0.3266 0.3073
Onchocerca volvulus 0.0048 0.0503 0.1248
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0213 0.3266 0.3073
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0213 0.3266 0.2803
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0057 0.0643 0.0374
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0057 0.0643 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0157 0.2318 0.2095
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0213 0.3266 0.2803
Trypanosoma brucei trypanothione reductase 0.0616 1 1
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.0057 0.0643 0.0412
Schistosoma mansoni glutamate synthase 0.0057 0.0643 0.0371
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0057 0.0643 0.1739
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0044 0.0429 0.0154
Loa Loa (eye worm) dihydrofolate reductase 0.0079 0.1023 0.0621
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0213 0.3266 0.2803
Echinococcus multilocularis dihydrofolate reductase 0.0079 0.1023 0.0762
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0079 0.1023 0.0406
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0044 0.0429 0.0154
Trichomonas vaginalis glutamate synthase, putative 0.0057 0.0643 0.1739
Entamoeba histolytica disulphide oxidoreductase, putative 0.0057 0.0643 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0616 1 1
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0057 0.0643 0.0754
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0044 0.0429 0.0429
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0057 0.0643 0.0643
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0213 0.3266 0.2803
Leishmania major hypothetical protein, conserved 0.0057 0.0643 0.0374
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0044 0.0429 0.0154
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0241 0.0473
Loa Loa (eye worm) thioredoxin reductase 0.0616 1 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0057 0.0643 0.0371
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.0057 0.0643 0.0412
Loa Loa (eye worm) hypothetical protein 0.0231 0.3557 0.3268
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0057 0.0643 0.0371
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0057 0.0643 0.1739
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0134 0.0135
Giardia lamblia NADH oxidase lateral transfer candidate 0.0213 0.3266 1
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0057 0.0643 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0279 0.0592
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0213 0.3266 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0079 0.1023 0.0802
Schistosoma mansoni glutamate synthase 0.0057 0.0643 0.0371
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0057 0.0643 0.0371
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0057 0.0643 0.0371
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0213 0.3266 0.2803
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0213 0.3266 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0213 0.3266 0.2803
Loa Loa (eye worm) hypothetical protein 0.0057 0.0643 0.0224
Trypanosoma cruzi hypothetical protein, conserved 0.0057 0.0643 0.0374
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0035 0.0279 0.0279
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0279 0.0592
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0091 0.0002
Onchocerca volvulus 0.0057 0.0643 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0213 0.3266 0.31
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0044 0.0429 0.0151
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0057 0.0643 0.0374
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0057 0.0643 0.0371
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0616 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0241 0.0473
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0079 0.1023 0.0765
Loa Loa (eye worm) glutathione reductase 0.0616 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0429 0.1065
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0057 0.0643 0.0412
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0057 0.0643 0.0374
Loa Loa (eye worm) programmed cell death 8 0.0057 0.0643 0.0224
Plasmodium falciparum glutathione reductase 0.0213 0.3266 0.2803
Plasmodium vivax glutathione reductase, putative 0.0616 1 1
Trypanosoma cruzi NADH dehydrogenase, putative 0.0057 0.0643 0.0374
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0091 0.0002
Echinococcus multilocularis tumor protein p63 0.033 0.5213 0.5074
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0057 0.0643 0.0371
Trichomonas vaginalis apoptosis inducing factor, putative 0.0057 0.0643 0.1739
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0091 0.0002
Entamoeba histolytica thioredoxin reductase, putative 0.0057 0.0643 1
Plasmodium vivax thioredoxin reductase, putative 0.0616 1 1
Trypanosoma cruzi NADH dehydrogenase, putative 0.0057 0.0643 0.0374
Echinococcus granulosus dihydrofolate reductase 0.0079 0.1023 0.0762
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0129 0.0121
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0044 0.0429 0.0154
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0079 0.1023 0.1023
Echinococcus multilocularis glutamate synthase 0.0057 0.0643 0.0371
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0213 0.3266 0.3266
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0213 0.3266 0.3073
Schistosoma mansoni sulfide quinone reductase 0.0057 0.0643 0.0371
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0079 0.1023 0.0406
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0172 0.0254
Schistosoma mansoni glutamate synthase 0.0057 0.0643 0.0371
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0057 0.0643 0.0412
Mycobacterium tuberculosis Probable oxidoreductase 0.0213 0.3266 0.2803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0279 0.0592
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0213 0.3266 0.3073
Schistosoma mansoni disulfide oxidoreductase 0.0057 0.0643 0.0371
Brugia malayi Thioredoxin reductase 0.0616 1 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0157 0.2318 0.2095
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0091 0.0002
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0057 0.0643 0.0371
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0322 0.0727
Schistosoma mansoni survival motor neuron protein 0.0047 0.0483 0.0206
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0057 0.0643 0.1739
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0213 0.3266 0.3073
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0213 0.3266 0.307
Leishmania major trypanothione reductase 0.0616 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0213 0.3266 1
Trypanosoma brucei hypothetical protein, conserved 0.0057 0.0643 0.0643
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0057 0.0643 0.0371
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0057 0.0643 0.1739
Trypanosoma cruzi trypanothione reductase, putative 0.0616 1 1

Activities

Activity type Activity value Assay description Source Reference
Dissociation rate constant (binding) = 1.4 s-1 Dissociation rate constant of compound for wild type E. coli dihydrofolate reductase ChEMBL. 1495020
Dissociation rate constant (binding) = 3.6 s-1 Dissociation rate constant of compound for mutant T46S E. coli dihydrofolate reductase ChEMBL. 1495020
Dissociation rate constant (binding) = 12.2 s-1 Dissociation rate constant of compound for mutant T46A E. coli dihydrofolate reductase ChEMBL. 1495020
Dissociation rate constant (binding) = 14 s-1 Dissociation rate constant of compound for mutant T46N E. coli dihydrofolate reductase ChEMBL. 1495020
Kd (binding) = 0.06 uM Thermodynamic Dissociation Constant for compound-Phe31-dihydrofolate reductase (DHFR) complex at pH 7 ChEMBL. 3275776
Kd (binding) = 0.3 uM Thermodynamic Dissociation Constant for compound-Tyr31-dihydrofolate reductase (DHFR) complex at pH 7 ChEMBL. 3275776
Kd (binding) = 0.3 uM Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7 ChEMBL. 3275776
Km (binding) = 4.2 uM Apparent kinetic constant of substrate activity for Hog liver Folyl-polyglutamate synthase ChEMBL. 1895294
Km (binding) = 8 uM The apparent Km of compound as a substrate for partially purified mouse liver Folyl-polyglutamate synthase ChEMBL. 2918520
Km app (binding) = 7.1 M Activity(apparent Km ) of the compound was evaluated in vitro by purified mouse liver folate polyglutamate synthetase (FPGS) . ChEMBL. 4009615
Rate of hydride transfer (binding) 0 s-1 Rate of hydride transfer (E-N) of compound for mutant T46S E. coli dihydrofolate reductase; ND=no data ChEMBL. 1495020
Rate of hydride transfer (binding) 0 s-1 Rate of hydride transfer (E-N) of compound for mutant T46A E. coli dihydrofolate reductase; ND=no data ChEMBL. 1495020
Rate of hydride transfer (binding) = 2.4 s-1 Rate of hydride transfer (E-N) of compound for wild type E. coli dihydrofolate reductase ChEMBL. 1495020
Rate of hydride transfer (binding) = 10 s-1 Rate of hydride transfer (E-NH) of compound for mutant T46S E. coli dihydrofolate reductase ChEMBL. 1495020
Rate of hydride transfer (binding) = 12 s-1 Rate of hydride transfer (E-NH) of compound for wild type E. coli dihydrofolate reductase ChEMBL. 1495020
Rate of hydride transfer (binding) = 13 s-1 Rate of hydride transfer (E-N) of compound for mutant T46N E. coli dihydrofolate reductase ChEMBL. 1495020
Rate of hydride transfer (binding) = 18 s-1 Rate of hydride transfer (E-NH) of compound for mutant T46N E. coli dihydrofolate reductase ChEMBL. 1495020
Rate of hydride transfer (binding) = 52 s-1 Rate of hydride transfer (E-NH) of compound for mutant T46A E. coli dihydrofolate reductase ChEMBL. 1495020
Ratio (binding) = 32.1 It is the ratio of apparent kinetic constant to that of relative maximum velocity ChEMBL. 1895294
Relative Km (binding) = 0.051 Activity(relative Km ) of the compound was evaluated in vitro by purified mouse liver folate polyglutamate synthetase (FPGS) . ChEMBL. 4009615
Relative Vmax (binding) = 1.31 Activity(relative Vmax) of the compound was evaluated in vitro by purified mouse liver folate polyglutamate synthetase (FPGS) . ChEMBL. 4009615
Vmax (binding) = 135 % Relative maximum velocity of substrate activity for Hog liver Folyl-polyglutamate synthase (relative to control of 50 microM aminopterin) ChEMBL. 1895294

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

9 literature references were collected for this gene.

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