Detailed information for compound 8761
Basic information
Technical information
Network
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Synonyms
- (2S)-2-amino-3-hydroxypropanoic acid
- (S)-2-Amino-3-hydroxypropanoic acid
- (S)-Serine
- (S)-a-Amino-b-hydroxypropionic acid
- 2-Amino-3-hydroxypropionic acid
- 3-Hydroxyalanine
- L-(-)-Serine
- L-3-Hydroxy-2-aminopropionic acid
- L-Ser
- L-Serine
- Serine
- b-Hydroxy-L-alanine
- (2S)-2-amino-3-hydroxy-propanoic acid
- (2S)-2-azanyl-3-hydroxy-propanoic acid
- (2S)-2-amino-3-hydroxy-propionic acid
- (2S)-2-azaniumyl-3-hydroxypropanoate
- (2S)-2-azaniumyl-3-hydroxy-propanoate
- (2S)-2-ammonio-3-hydroxypropanoate
- (2S)-2-ammonio-3-hydroxy-propionate
- polyserine
- allotetrahydrocortisol
- 6898-95-9
- 25821-52-7
- 2-Amino-3-hydroxypropanoic acid
- 2-Amino-3-hydroxypropanoic acid, (S)-
- 4-04-00-03118 (Beilstein Handbook Reference)
- BRN 1721404
- EINECS 200-274-3
- HSDB 680
- NSC 118365
- Propanoic acid, 2-amino-3-hydroxy-, (S)-
- SER (IUPAC abbrev)
- Serina [Spanish]
- Serine (VAN)
- Serine [USAN:INN]
- Serine, L-
- Serinum [Latin]
- alpha-Amino-beta-hydroxypropionic acid
- beta-Hydroxyalanine
- S1315_SIGMA
- CHEBI:17115
- L-Serin
- (S)-alpha-Amino-beta-hydroxypropionic acid
- L-Serine, homopolymer
- Poly-L-serine
- S4311_SIGMA
- C00065
- L-2-Amino-3-hydroxypropionic acid
- L-3-Hydroxy-alanine
- Lopac-S-4250
- NCGC00015952-01
- 84959_FLUKA
- NCGC00024507-01
- Tocris-0226
- D00016
- L-Serine (JAN)
- Serine (USP)
- NCGC00024507-02
- Tocris-0227
- L-Alanine, 3-hydroxy-
- Propanoic acid, 2-amino-3-hydroxy-, (S)
- beta-Hydroxy-L-alanine
- S4500_SIGMA
- (S)-2-Amino-3-hydroxypropionic acid
- 78682_FLUKA
- 3-hydroxy-alanine
- c0933
- CHEBI:33384
- L-serine zwitterion
- (S)-(-)-serine
- ZINC00895034
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Rattus norvegicus | Muscarinic acetylcholine receptor M1 | Starlite/ChEMBL | No references |
| Electrophorus electricus | Acetylcholinesterase | Starlite/ChEMBL | References |
| Mycobacterium tuberculosis | Probable glutamine synthetase GlnA3 (glutamine synthase) (GS-I) | Curated by TDR Targets | References |
| Mycobacterium tuberculosis | Probable glutamine synthetase GlnA2 (glutamine synthase) (GS-II) | Curated by TDR Targets | References |
| Mycobacterium leprae | PROBABLE GLUTAMINE SYNTHETASE GLNA2 (GLUTAMINE SYNTHASE) (GS-II) | Curated by TDR Targets | References |
| Equus caballus | Cholinesterase | Starlite/ChEMBL | References |
| Bacillus anthracis | Anthrax lethal factor | Starlite/ChEMBL | No references |
| Homo sapiens | polymerase (DNA directed) kappa | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Brugia malayi | Carboxylesterase family protein | Cholinesterase | 574 aa | 538 aa | 31.4 % |
| Loa Loa (eye worm) | hypothetical protein | Muscarinic acetylcholine receptor M1 | 460 aa | 425 aa | 22.1 % |
| Schistosoma mansoni | amine GPCR | Muscarinic acetylcholine receptor M1 | 460 aa | 463 aa | 27.0 % |
| Echinococcus granulosus | biogenic amine 5HT receptor | Muscarinic acetylcholine receptor M1 | 460 aa | 432 aa | 26.6 % |
| Onchocerca volvulus | Galectin homolog | Cholinesterase | 574 aa | 531 aa | 39.7 % |
| Brugia malayi | Carboxylesterase family protein | Acetylcholinesterase | 633 aa | 517 aa | 25.1 % |
| Schistosoma mansoni | gliotactin | Cholinesterase | 574 aa | 587 aa | 27.9 % |
| Onchocerca volvulus | Putative nuclear protein | Cholinesterase | 574 aa | 572 aa | 40.9 % |
| Drosophila melanogaster | CG10175 gene product from transcript CG10175-RE | Acetylcholinesterase | 633 aa | 549 aa | 30.4 % |
| Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | Acetylcholinesterase | 633 aa | 622 aa | 24.9 % |
| Brugia malayi | Carboxylesterase family protein | Acetylcholinesterase | 633 aa | 620 aa | 28.4 % |
| Onchocerca volvulus | Cholinesterase | 574 aa | 551 aa | 29.9 % | |
| Schistosoma japonicum | ko:K04136 adrenergic receptor, alpha 1b, putative | Muscarinic acetylcholine receptor M1 | 460 aa | 462 aa | 23.4 % |
| Schistosoma japonicum | ko:K01050 cholinesterase [EC3.1.1.8], putative | Cholinesterase | 574 aa | 577 aa | 36.9 % |
| Echinococcus granulosus | neuroligin | Cholinesterase | 574 aa | 492 aa | 24.4 % |
| Onchocerca volvulus | Cholinesterase | 574 aa | 578 aa | 25.3 % | |
| Loa Loa (eye worm) | hypothetical protein | Acetylcholinesterase | 633 aa | 576 aa | 23.4 % |
| Onchocerca volvulus | Carnitine O-palmitoyltransferase 2, mitochondrial homolog | Cholinesterase | 574 aa | 554 aa | 36.1 % |
| Echinococcus multilocularis | neuroligin | Acetylcholinesterase | 633 aa | 507 aa | 23.9 % |
| Echinococcus granulosus | BC026374 protein S09 family | Acetylcholinesterase | 633 aa | 690 aa | 31.7 % |
| Onchocerca volvulus | Acetylcholinesterase | 633 aa | 648 aa | 25.3 % | |
| Onchocerca volvulus | Molybdopterin synthase catalytic subunit homolog | Acetylcholinesterase | 633 aa | 576 aa | 28.8 % |
| Echinococcus multilocularis | BC026374 protein (S09 family) | Acetylcholinesterase | 633 aa | 690 aa | 32.3 % |
| Loa Loa (eye worm) | hypothetical protein | Acetylcholinesterase | 633 aa | 597 aa | 25.1 % |
| Echinococcus multilocularis | serotonin receptor | Muscarinic acetylcholine receptor M1 | 460 aa | 432 aa | 26.6 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
| AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
| AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
| AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
| AC50 (functional) | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference | |
| AC50 (functional) | = 39.81071706 uM | PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active | ChEMBL. | No reference |
| Activity (binding) | Induction of nitrogen-starved wild type sigma1278b yeast Gap1-mediated trehalose activation at 10 mM | ChEMBL. | 19060912 | |
| Activity (functional) | TP_TRANSPORTER: inhibition of L-tryptophan uptake in Xenopus laevis oocytes | ChEMBL. | 11278508 | |
| IC50 (binding) | = 0.015 uM | Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 30 mins by Ellman's method | ChEMBL. | 25980913 |
| IC50 (binding) | = 0.016 uM | Inhibition of equine serum butyrylcholinesterase using butyrylthiocholineidioide as substrate preincubated for 20 mins followed by substrate addition measured for 30 mins by Ellman's method | ChEMBL. | 25980913 |
| Kd (binding) | = 160 uM | Binding affinity to Pyrococcus horikoshii sodium-coupled aspartate transporter | ChEMBL. | 17230192 |
| Ki (binding) | = 0.05 mM | Inhibition of Rattus norvegicus Wistar (rat) rat Gamma-glutamyltranspeptidase using L-gamma-glutamyl-p-nitroanilide as substrate incubated for 15 min prior to substrate addition by spectrophotometric analysis | ChEMBL. | No reference |
| Ki (binding) | = 0.4 mM | Inhibition of Setaria cervi Gamma-glutamyltranspeptidase using L-gamma-glutamyl-p-nitroanilide as substrate incubated for 15 min prior to substrate addition by spectrophotometric analysis | ChEMBL. | No reference |
| Ki (binding) | = 35 mM | Inhibition of human PAT1-mediated L-[3H]proline uptake in human Caco2 cells after 10 mins by liquid scintillation counting | ChEMBL. | 21955456 |
| krel (binding) | 0 | Effect on rate of GTP hydrolysis in the GTP binding protein ras p21; Not determined | ChEMBL. | 9871712 |
| Log 1/T (functional) | NB 0 | Bitter threshold value; NB denotes 'Not bitter' | ChEMBL. | 3656360 |
| logP (ADMET) | = 3.3 | Partition coefficient (logP) | ChEMBL. | 3656360 |
| pKi (binding) | = -1.54 mM | Inhibition of human PAT1-mediated L-[3H]proline uptake in human Caco2 cells after 10 mins by liquid scintillation counting | ChEMBL. | 21955456 |
| Potency (functional) | = 0.0112 um | PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of Acetylcholine Muscarinic M1 Receptor: Kinetic Measurement of Intracellular Calcium Response. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 0.3548 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] | ChEMBL. | No reference |
| Potency (functional) | = 1 um | PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 19.9526 um | PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of Acetylcholine Muscarinic M1 Receptor: Measurement of IP-One Response. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 63.0957 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 100 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) | ChEMBL. | No reference |
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:
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.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
External resources for this compound
Bibliographic References
138 literature references were collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.