Piricyclamide SQWGWRGLSDP
| Internal ID | cd85214c-c1f6-42ce-a4e5-a7eb04ab82ae |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 2-[(3S,6S,9S,15S,18S,24S,27S,30R,33S)-27-(3-amino-3-oxopropyl)-15-[3-(diaminomethylideneamino)propyl]-6,30-bis(hydroxymethyl)-18,24-bis(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[31.3.0]hexatriacontan-3-yl]acetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C58H79N17O16/c1-29(2)19-38-52(86)73-42(27-76)55(89)72-41(22-48(81)82)57(91)75-18-8-14-44(75)56(90)74-43(28-77)54(88)70-37(15-16-45(59)78)51(85)71-39(20-30-23-63-34-11-5-3-9-32(30)34)50(84)66-26-47(80)68-40(21-31-24-64-35-12-6-4-10-33(31)35)53(87)69-36(13-7-17-62-58(60)61)49(83)65-25-46(79)67-38/h3-6,9-12,23-24,29,36-44,63-64,76-77H,7-8,13-22,25-28H2,1-2H3,(H2,59,78)(H,65,83)(H,66,84)(H,67,79)(H,68,80)(H,69,87)(H,70,88)(H,71,85)(H,72,89)(H,73,86)(H,74,90)(H,81,82)(H4,60,61,62)/t36-,37-,38-,39-,40-,41-,42-,43+,44-/m0/s1 |
| InChI Key | JZZUYXCMSCYHMW-YSUREIBVSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C58H79N17O16 |
| Molecular Weight | 1270.40 g/mol |
| Exact Mass | 1269.58906950 g/mol |
| Topological Polar Surface Area (TPSA) | 528.00 Ų |
| XlogP | -2.80 |
| DTXSID101335629 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.77% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.71% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.42% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.84% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.49% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.50% | 94.45% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 95.08% | 97.64% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 95.01% | 96.31% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 94.62% | 92.97% |
| CHEMBL4071 | P08311 | Cathepsin G | 94.07% | 94.64% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 93.66% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.41% | 95.89% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 92.35% | 88.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.14% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.56% | 97.09% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 90.87% | 94.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 90.80% | 82.38% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.42% | 90.08% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.89% | 99.23% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 88.83% | 96.11% |
| CHEMBL228 | P31645 | Serotonin transporter | 88.25% | 95.51% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.60% | 97.05% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.38% | 89.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.36% | 96.47% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.25% | 93.03% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 86.13% | 94.66% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 84.40% | 95.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 83.96% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.91% | 82.69% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 83.08% | 88.42% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 82.49% | 85.83% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 82.45% | 83.10% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.16% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.27% | 86.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.05% | 89.62% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.85% | 92.32% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.76% | 95.62% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.69% | 91.81% |
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 | 146684888 |
| LOTUS | LTS0165706 |
| wikiData | Q104203016 |