2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-(1-hydroxy-2-oxocyclopent-3-en-1-yl)acetic acid
| Internal ID | 9e7dd54a-f27f-4df1-85df-3d6ab0c089a7 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | 2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-(1-hydroxy-2-oxocyclopent-3-en-1-yl)acetic acid |
| SMILES (Canonical) | C1C=CC(=O)C1(C(C(=O)O)NC(=O)C(CCCN=C(N)N)N)O |
| SMILES (Isomeric) | C1C=CC(=O)C1(C(C(=O)O)NC(=O)C(CCCN=C(N)N)N)O |
| InChI | InChI=1S/C13H21N5O5/c14-7(3-2-6-17-12(15)16)10(20)18-9(11(21)22)13(23)5-1-4-8(13)19/h1,4,7,9,23H,2-3,5-6,14H2,(H,18,20)(H,21,22)(H4,15,16,17) |
| InChI Key | DUYFQYOHZRZEAZ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C13H21N5O5 |
| Molecular Weight | 327.34 g/mol |
| Exact Mass | 327.15426879 g/mol |
| Topological Polar Surface Area (TPSA) | 194.00 Ų |
| XlogP | -4.10 |
| 2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-(1-hydroxy-2-oxocyclopent-3-en-1-yl)acetic acid |
| LL-BM-726 |
| LL-BM 726 |
| LL-BM726 |
| DTXSID00914390 |
| Glycine, N-L-arginyl-2-(1-hydroxy-2-oxo-3-cyclopenten-1-yl)- |
| [(2-Amino-5-carbamimidamido-1-hydroxypentylidene)amino](1-hydroxy-2-oxocyclopent-3-en-1-yl)acetic acid |
![2D Structure of 2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-(1-hydroxy-2-oxocyclopent-3-en-1-yl)acetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/77127be0-853f-11ee-9c34-e771a1f3901c.jpg "2D Structure of 2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-(1-hydroxy-2-oxocyclopent-3-en-1-yl)acetic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.63% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.18% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.95% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.56% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.89% | 98.95% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 88.99% | 100.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 88.28% | 92.29% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.15% | 90.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.52% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.63% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.62% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.26% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.49% | 90.20% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.04% | 97.21% |
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 | 126036 |
| LOTUS | LTS0080550 |
| wikiData | Q77372050 |