L-Tryptophan, L-cysteinyl-L-leucylglycyl-L-isoleucylglycyl-L-seryl-L-cysteinyl-L-asparaginyl-L-alpha-aspartyl-L-phenylalanyl-L-alanylglycyl-L-cysteinylglycyl-L-tyrosyl-L-alanyl-L-isoleucyl-L-valyl-L-cysteinyl-L-phenylalanyl-, cyclic (9-1)-peptide, cyclic (1-13),(7-19)-bis(disulfide
| Internal ID | f1af7452-8a49-4473-9874-15e38b0080db |
| Taxonomy | Organic Polymers > Polypeptides |
| IUPAC Name | (2S)-2-[[(2S)-2-[[(1S,4S,7S,13R,19S,22S,25S,28S,31R,36R,39S,45S,51S,54R,60S)-60-(2-amino-2-oxoethyl)-4-benzyl-25,45-bis[(2S)-butan-2-yl]-39-(hydroxymethyl)-19-[(4-hydroxyphenyl)methyl]-7,22-dimethyl-51-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,38,41,44,47,50,53,56,59,62-nonadecaoxo-28-propan-2-yl-33,34,64,65-tetrathia-3,6,9,12,15,18,21,24,27,30,37,40,43,46,49,52,55,58,61-nonadecazatricyclo[34.21.5.413,54]hexahexacontane-31-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C98H133N23O26S4/c1-11-50(7)80-95(143)104-41-76(127)108-68(43-122)91(139)117-71-46-150-151-47-72(94(142)113-64(33-55-23-17-14-18-24-55)88(136)116-67(98(146)147)35-57-38-100-60-26-20-19-25-59(57)60)118-96(144)79(49(5)6)120-97(145)81(51(8)12-2)121-83(131)53(10)106-86(134)62(34-56-27-29-58(123)30-28-56)107-75(126)40-103-85(133)69-44-148-149-45-70(92(140)111-61(31-48(3)4)84(132)102-42-78(129)119-80)109-74(125)37-66(115-89(137)65(36-73(99)124)114-93(71)141)90(138)112-63(32-54-21-15-13-16-22-54)87(135)105-52(9)82(130)101-39-77(128)110-69/h13-30,38,48-53,61-72,79-81,100,122-123H,11-12,31-37,39-47H2,1-10H3,(H2,99,124)(H,101,130)(H,102,132)(H,103,133)(H,104,143)(H,105,135)(H,106,134)(H,107,126)(H,108,127)(H,109,125)(H,110,128)(H,111,140)(H,112,138)(H,113,142)(H,114,141)(H,115,137)(H,116,136)(H,117,139)(H,118,144)(H,119,129)(H,120,145)(H,121,131)(H,146,147)/t50-,51-,52-,53-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,79-,80-,81-/m0/s1 |
| InChI Key | HQDWMGCEUREUTK-FYOZFPLDSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C98H133N23O26S4 |
| Molecular Weight | 2177.50 g/mol |
| Exact Mass | 2176.8708510 g/mol |
| Topological Polar Surface Area (TPSA) | 849.00 Ų |
| XlogP | 0.70 |
| BMY 29303 |
| 164802-69-1 |
| L-Tryptophan, L-cysteinyl-L-leucylglycyl-L-isoleucylglycyl-L-seryl-L-cysteinyl-L-asparaginyl-L-alpha-aspartyl-L-phenylalanyl-L-alanylglycyl-L-cysteinylglycyl-L-tyrosyl-L-alanyl-L-isoleucyl-L-valyl-L-cysteinyl-L-phenylalanyl-, cyclic (9-1)-peptide, cyclic (1-13),(7-19)-bis(disulfide |
| WFCVIAYGCGAFDNCSGIGLC |
| BMY-29303 |
| (2S)-2-[[(2S)-2-[[(2-amino-2-oxo-ethyl)-benzyl-(hydroxymethyl)-[(4-hydroxyphenyl)methyl]-isobutyl-isopropyl-dimethyl-bis[(1S)-1-methylpropyl]-nonadecaoxo-[?]carbonyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic 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 | 99.97% | 98.95% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 99.70% | 91.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.66% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.53% | 83.82% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 99.41% | 93.10% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 99.31% | 97.64% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 98.70% | 97.23% |
| CHEMBL3837 | P07711 | Cathepsin L | 98.56% | 96.61% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 98.29% | 90.20% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 98.20% | 90.08% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 98.20% | 88.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.18% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.21% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 97.10% | 97.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 95.56% | 95.50% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 95.37% | 99.09% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 95.36% | 96.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.19% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.76% | 98.75% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 94.67% | 94.45% |
| CHEMBL4071 | P08311 | Cathepsin G | 94.35% | 94.64% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 93.95% | 91.81% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 93.88% | 96.90% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 92.65% | 83.10% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 92.54% | 96.11% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 91.54% | 95.00% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 91.30% | 90.24% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 90.60% | 92.32% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.99% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.73% | 99.17% |
| CHEMBL236 | P41143 | Delta opioid receptor | 88.63% | 99.35% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.39% | 95.89% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 88.25% | 98.05% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 88.11% | 88.42% |
| CHEMBL2821 | P00748 | Coagulation factor XII | 88.10% | 96.21% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.73% | 95.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.00% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.79% | 89.00% |
| CHEMBL1801 | P00747 | Plasminogen | 85.28% | 92.44% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.24% | 99.15% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 84.84% | 100.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 84.44% | 95.83% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.34% | 94.75% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.65% | 90.17% |
| CHEMBL1293287 | P14735 | Insulin-degrading enzyme | 83.28% | 88.10% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.24% | 93.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.13% | 94.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.83% | 91.19% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.28% | 100.00% |
| CHEMBL1949 | P62937 | Cyclophilin A | 82.17% | 98.57% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 82.07% | 92.67% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.82% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.76% | 99.23% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.35% | 89.67% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.19% | 100.00% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 80.98% | 82.86% |
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 | 16130326 |
| LOTUS | LTS0135470 |
| wikiData | Q105032206 |