(S)-2-Amino-3-(5-bromo-1H-indol-3-yl)propanoic acid
| Internal ID | 81688a8b-e476-434d-9376-d0a8babada04 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indolyl carboxylic acids and derivatives |
| IUPAC Name | (2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid |
| SMILES (Canonical) | C1=CC2=C(C=C1Br)C(=CN2)CC(C(=O)O)N |
| SMILES (Isomeric) | C1=CC2=C(C=C1Br)C(=CN2)C[C@@H](C(=O)O)N |
| InChI | InChI=1S/C11H11BrN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1 |
| InChI Key | KZDNJQUJBMDHJW-VIFPVBQESA-N |
| Popularity | 37 references in papers |
| Molecular Formula | C11H11BrN2O2 |
| Molecular Weight | 283.12 g/mol |
| Exact Mass | 282.00039 g/mol |
| Topological Polar Surface Area (TPSA) | 79.10 Ų |
| XlogP | -0.10 |
| 25197-99-3 |
| (S)-2-Amino-3-(5-bromo-1H-indol-3-yl)propanoic acid |
| L-tryptophan, 5-bromo- |
| 5BrW |
| 5-Bromotryptophan |
| (2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid |
| 5-bromo-tryptophan |
| Tryptophan, 5-bromo- |
| SCHEMBL454983 |
| (S)-2-Amino-3-(5-bromo-1H-indol-3-yl)propanoicacid |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.21% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.42% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.00% | 83.82% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 94.98% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.52% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.83% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.64% | 94.45% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.26% | 90.20% |
| CHEMBL5443 | O00311 | Cell division cycle 7-related protein kinase | 84.74% | 96.11% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.39% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.10% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.90% | 98.75% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.36% | 97.00% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 81.09% | 97.23% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 644329 |
| LOTUS | LTS0078931 |
| wikiData | Q105148098 |