Microginin GH787
| Internal ID | a1927f29-bdad-4325-aa1f-af68f7040d46 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | (2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30+,31-,32-,33-,34-,35-/m0/s1 |
| InChI Key | XYGVUPXPWWMUAK-YGKFCERESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C40H58ClN5O9 |
| Molecular Weight | 788.40 g/mol |
| Exact Mass | 787.3923061 g/mol |
| Topological Polar Surface Area (TPSA) | 223.00 Ų |
| XlogP | 2.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.84% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.22% | 96.09% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 98.54% | 100.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 98.53% | 93.10% |
| CHEMBL3837 | P07711 | Cathepsin L | 98.00% | 96.61% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 96.73% | 98.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.58% | 93.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.04% | 93.99% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.98% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.19% | 90.71% |
| CHEMBL4123 | P30989 | Neurotensin receptor 1 | 94.17% | 96.67% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 92.78% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.78% | 95.89% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 92.18% | 98.24% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.81% | 95.89% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 91.76% | 95.52% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.20% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.61% | 94.45% |
| CHEMBL4198 | P98170 | Inhibitor of apoptosis protein 3 | 90.47% | 97.79% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.28% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.99% | 90.08% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.98% | 100.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 89.70% | 97.64% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.47% | 95.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.27% | 91.19% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 88.97% | 97.64% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.63% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.27% | 93.00% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 87.25% | 91.76% |
| CHEMBL236 | P41143 | Delta opioid receptor | 86.93% | 99.35% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.63% | 90.20% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.60% | 97.29% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.30% | 91.81% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.59% | 96.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.30% | 97.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.27% | 90.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.72% | 92.86% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 83.55% | 96.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.13% | 91.11% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.09% | 94.33% |
| CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 82.73% | 92.86% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 82.59% | 97.23% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 82.44% | 98.89% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.22% | 99.18% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.07% | 97.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.94% | 90.00% |
| CHEMBL249 | P25103 | Neurokinin 1 receptor | 81.59% | 99.17% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 80.64% | 95.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.31% | 96.47% |
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 | 53361003 |
| LOTUS | LTS0128887 |
| wikiData | Q77489350 |