Patellamide G
| Internal ID | 42aa5c40-b210-4c4e-9530-65f25ddc7b72 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | (4S,7R,8S,11R,18S,21S,24R)-11-benzyl-18-[(2S)-butan-2-yl]-21-[(1S)-1-hydroxyethyl]-7,24-dimethyl-4-(2-methylpropyl)-6-oxa-13,26-dithia-3,10,17,20,23,28,29,30-octazatetracyclo[23.2.1.15,8.112,15]triaconta-1(27),5(30),12(29),14,25(28)-pentaene-2,9,16,19,22-pentone |
| SMILES (Canonical) | CCC(C)C1C(=O)NC(C(=O)NC(C2=NC(=CS2)C(=O)NC(C3=NC(C(O3)C)C(=O)NC(C4=NC(=CS4)C(=O)N1)CC5=CC=CC=C5)CC(C)C)C)C(C)O |
| SMILES (Isomeric) | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@@H](C4=NC(=CS4)C(=O)N1)CC5=CC=CC=C5)CC(C)C)C)[C@H](C)O |
| InChI | InChI=1S/C38H50N8O7S2/c1-8-19(4)28-33(50)45-29(21(6)47)34(51)39-20(5)37-42-26(16-54-37)31(48)40-24(14-18(2)3)36-46-30(22(7)53-36)35(52)41-25(15-23-12-10-9-11-13-23)38-43-27(17-55-38)32(49)44-28/h9-13,16-22,24-25,28-30,47H,8,14-15H2,1-7H3,(H,39,51)(H,40,48)(H,41,52)(H,44,49)(H,45,50)/t19-,20+,21-,22+,24-,25+,28-,29-,30-/m0/s1 |
| InChI Key | VLOXUMQANREDRL-GDCGDAOHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C38H50N8O7S2 |
| Molecular Weight | 795.00 g/mol |
| Exact Mass | 794.32438831 g/mol |
| Topological Polar Surface Area (TPSA) | 270.00 Ų |
| XlogP | 4.80 |
| 218916-91-7 |
| Cyclo(2-((1R)-1-aminoethyl)-4-thiazolecarbonyl-(4S,5R)-2-((1S)-1-amino-3-methylbutyl)-4,5-dihydro-5-methyl-4-oxazolecarbonyl-2-((1R)-1-amino-2-phenylethyl)-4-thiazolecarbonyl-L-isoleucyl-L-threonyl) |
| CHEMBL447010 |
| 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 | 99.11% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.73% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.47% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.44% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.10% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.14% | 94.73% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 91.26% | 97.64% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.23% | 95.56% |
| CHEMBL1949 | P62937 | Cyclophilin A | 90.38% | 98.57% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.22% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.72% | 93.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.37% | 94.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.51% | 95.50% |
| CHEMBL4447 | Q9Y337 | Kallikrein 5 | 83.90% | 87.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.02% | 94.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.39% | 96.90% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.68% | 99.17% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.66% | 98.59% |
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 | 44584086 |
| LOTUS | LTS0076276 |
| wikiData | Q105288546 |