For-Dap-D-Phe-Unk-Pro-NH2
| Internal ID | 960d0b38-405e-4b23-b578-c5d296e0bd87 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | (2S)-1-[(E,4S)-4-[[(2R)-2-[[(2S)-3-amino-2-formamidopropanoyl]amino]-3-phenylpropanoyl]amino]-5-(4-hydroxyphenyl)pent-2-enoyl]pyrrolidine-2-carboxamide |
| SMILES (Canonical) | C1CC(N(C1)C(=O)C=CC(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CN)NC=O)C(=O)N |
| SMILES (Isomeric) | C1C[C@H](N(C1)C(=O)/C=C/[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=CC=C3)NC(=O)[C@H](CN)NC=O)C(=O)N |
| InChI | InChI=1S/C29H36N6O6/c30-17-24(32-18-36)29(41)34-23(16-19-5-2-1-3-6-19)28(40)33-21(15-20-8-11-22(37)12-9-20)10-13-26(38)35-14-4-7-25(35)27(31)39/h1-3,5-6,8-13,18,21,23-25,37H,4,7,14-17,30H2,(H2,31,39)(H,32,36)(H,33,40)(H,34,41)/b13-10+/t21-,23-,24+,25+/m1/s1 |
| InChI Key | JMCLWMCVXQEUEH-GBUQLMHESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H36N6O6 |
| Molecular Weight | 564.60 g/mol |
| Exact Mass | 564.26963289 g/mol |
| Topological Polar Surface Area (TPSA) | 197.00 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3837 | P07711 | Cathepsin L | 99.04% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.96% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.06% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.64% | 95.56% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 94.47% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 93.76% | 98.33% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 93.63% | 97.64% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 92.86% | 96.03% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.84% | 90.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 91.68% | 90.20% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.26% | 91.11% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 91.25% | 98.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.20% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.19% | 99.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 90.07% | 93.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.80% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.62% | 97.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.53% | 96.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.00% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.82% | 91.19% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.14% | 97.21% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.76% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.60% | 93.56% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 86.43% | 96.67% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.97% | 97.14% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 85.71% | 96.67% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.49% | 100.00% |
| CHEMBL4801 | P29466 | Caspase-1 | 85.15% | 96.85% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 84.68% | 89.33% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 82.18% | 98.89% |
| CHEMBL3891 | P07384 | Calpain 1 | 80.78% | 93.04% |
| CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 80.78% | 92.86% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.62% | 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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 100964481 |
| LOTUS | LTS0085654 |
| wikiData | Q105131270 |