2-Methyl-4-[[2-[4-methyl-3-[[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]-2-oxopentyl]-1,3-thiazole-4-carbonyl]amino]-5-phenylpentanoic acid
| Internal ID | 4ec85a25-cea8-4c74-b073-4e9271115e59 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Amino acids and derivatives > Gamma amino acids and derivatives |
| IUPAC Name | 2-methyl-4-[[2-[4-methyl-3-[[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]-2-oxopentyl]-1,3-thiazole-4-carbonyl]amino]-5-phenylpentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H51N5O6S/c1-7-22(4)31(39-33(43)27-15-11-12-16-40(27)6)34(44)38-30(21(2)3)28(41)19-29-37-26(20-47-29)32(42)36-25(17-23(5)35(45)46)18-24-13-9-8-10-14-24/h8-10,13-14,20-23,25,27,30-31H,7,11-12,15-19H2,1-6H3,(H,36,42)(H,38,44)(H,39,43)(H,45,46) |
| InChI Key | HGQBQUQITHSXOR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H51N5O6S |
| Molecular Weight | 669.90 g/mol |
| Exact Mass | 669.35600554 g/mol |
| Topological Polar Surface Area (TPSA) | 186.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 2-Methyl-4-[[2-[4-methyl-3-[[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]-2-oxopentyl]-1,3-thiazole-4-carbonyl]amino]-5-phenylpentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/e98c84f0-8551-11ee-a2ee-016b68fa7a77.jpg "2D Structure of 2-Methyl-4-[[2-[4-methyl-3-[[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]-2-oxopentyl]-1,3-thiazole-4-carbonyl]amino]-5-phenylpentanoic 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.89% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 99.51% | 90.17% |
| CHEMBL4072 | P07858 | Cathepsin B | 99.45% | 93.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.93% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.45% | 89.63% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 96.74% | 98.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.66% | 97.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.97% | 90.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.58% | 93.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 91.50% | 97.64% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.35% | 95.56% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 88.99% | 95.39% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.96% | 93.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.62% | 90.71% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.45% | 93.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.28% | 99.23% |
| CHEMBL4393 | P39900 | Matrix metalloproteinase 12 | 87.23% | 92.22% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 85.57% | 97.50% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 85.27% | 95.34% |
| CHEMBL6007 | O75762 | Transient receptor potential cation channel subfamily A member 1 | 84.74% | 92.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.40% | 91.19% |
| CHEMBL1741221 | Q9Y4P1 | Cysteine protease ATG4B | 84.26% | 87.50% |
| CHEMBL3837 | P07711 | Cathepsin L | 84.20% | 96.61% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.04% | 98.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.61% | 100.00% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 82.49% | 97.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.37% | 95.93% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 81.68% | 88.42% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.90% | 100.00% |
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.
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| There are no matching plants. |
| PubChem | 163062740 |
| LOTUS | LTS0172876 |
| wikiData | Q104167832 |