Caerin 4.1
| Internal ID | ceb1a744-db97-454c-ba93-b022b7f64a38 |
| Taxonomy | Organic Polymers > Polypeptides |
| IUPAC Name | (4S)-4-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C104H175N29O31/c1-16-54(10)83(102(162)122-63(29-21-24-36-105)92(152)127-72(48-134)86(110)146)130-78(140)46-113-90(150)66(33-35-80(142)143)124-101(161)82(53(8)9)132-104(164)84(55(11)17-2)131-79(141)47-114-91(151)73(49-135)128-89(149)59(15)116-96(156)69(40-52(6)7)125-99(159)71(42-81(144)145)119-77(139)45-112-87(147)57(13)115-88(148)58(14)117-100(160)74(50-136)129-93(153)64(30-22-25-37-106)123-103(163)85(56(12)18-3)133-95(155)65(31-23-26-38-107)120-94(154)67(32-34-75(109)137)121-98(158)70(41-60-44-111-62-28-20-19-27-61(60)62)126-97(157)68(39-51(4)5)118-76(138)43-108/h19-20,27-28,44,51-59,63-74,82-85,111,134-136H,16-18,21-26,29-43,45-50,105-108H2,1-15H3,(H2,109,137)(H2,110,146)(H,112,147)(H,113,150)(H,114,151)(H,115,148)(H,116,156)(H,117,160)(H,118,138)(H,119,139)(H,120,154)(H,121,158)(H,122,162)(H,123,163)(H,124,161)(H,125,159)(H,126,157)(H,127,152)(H,128,149)(H,129,153)(H,130,140)(H,131,141)(H,132,164)(H,133,155)(H,142,143)(H,144,145)/t54-,55-,56-,57-,58-,59-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,82-,83-,84-,85-/m0/s1 |
| InChI Key | CUUMJCBCIHPUOP-KYJUHFLPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C104H175N29O31 |
| Molecular Weight | 2327.70 g/mol |
| Exact Mass | 2327.3042347 g/mol |
| Topological Polar Surface Area (TPSA) | 982.00 Ų |
| XlogP | -10.20 |
| NH2-Gly-Leu-Trp-Gln-Lys-Ile-Lys-Ser-Ala-Ala-Gly-Asp-Leu-Ala-Ser-Gly-Ile-Val-Glu-Gly-Ile-Lys-Ser-NH2 |
| 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 | 99.93% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.58% | 91.11% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.56% | 96.61% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 99.46% | 97.23% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.28% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.96% | 96.09% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 97.34% | 90.20% |
| CHEMBL3176 | O43603 | Galanin receptor 2 | 97.01% | 98.89% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 96.96% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.74% | 90.17% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 96.36% | 88.42% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.34% | 96.00% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 96.21% | 98.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.90% | 99.17% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 95.18% | 96.28% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 95.03% | 98.33% |
| CHEMBL4801 | P29466 | Caspase-1 | 94.82% | 96.85% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 94.79% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.62% | 95.56% |
| CHEMBL3776 | Q14790 | Caspase-8 | 94.28% | 97.06% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.93% | 93.56% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 93.83% | 98.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.20% | 97.09% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 92.74% | 87.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 92.53% | 97.21% |
| CHEMBL2208 | P49137 | MAP kinase-activated protein kinase 2 | 92.44% | 95.20% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 92.30% | 100.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.64% | 94.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.48% | 89.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.76% | 95.50% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 89.65% | 97.64% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 88.75% | 90.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.98% | 96.47% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.37% | 96.90% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 87.18% | 95.38% |
| CHEMBL4625 | Q07817 | Apoptosis regulator Bcl-X | 86.98% | 99.77% |
| CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 86.46% | 95.48% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 86.45% | 93.18% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 86.25% | 96.67% |
| CHEMBL2431 | P31751 | Serine/threonine-protein kinase AKT2 | 86.15% | 98.33% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.14% | 91.81% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 86.14% | 94.66% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.79% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.47% | 98.75% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 85.16% | 89.33% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 84.65% | 92.32% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 84.35% | 97.00% |
| CHEMBL3308 | P55212 | Caspase-6 | 84.14% | 97.56% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 84.12% | 82.86% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.97% | 94.08% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.74% | 91.19% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.70% | 88.56% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.66% | 95.56% |
| CHEMBL222 | P23975 | Norepinephrine transporter | 82.33% | 96.06% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.83% | 94.73% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.68% | 99.35% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.49% | 96.37% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.24% | 82.69% |
| CHEMBL5028 | O14672 | ADAM10 | 81.22% | 97.50% |
| CHEMBL1293287 | P14735 | Insulin-degrading enzyme | 81.09% | 88.10% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.16% | 96.95% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.00% | 89.50% |
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 | 16134130 |
| LOTUS | LTS0129330 |
| wikiData | Q105103280 |