Cerexin-D4
| Internal ID | 85468326-dc0a-4000-8d45-b30a14fb3d35 |
| Taxonomy | Organic Polymers > Polypeptides |
| IUPAC Name | 2-[[2-[[2-[[2-[[6-amino-2-[[4-amino-2-[[4-amino-2-[[2-[[2-[[4-amino-2-[(3-hydroxy-9-methyldecanoyl)amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid |
| SMILES (Canonical) | CCC(C)C(C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)C)NC(=O)C(CC(=O)N)NC(=O)CC(CCCCCC(C)C)O |
| SMILES (Isomeric) | CCC(C)C(C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)C)NC(=O)C(CC(=O)N)NC(=O)CC(CCCCCC(C)C)O |
| InChI | InChI=1S/C66H101N15O17/c1-8-37(6)56(66(97)98)80-62(93)46(28-40-33-71-43-24-16-15-23-42(40)43)74-54(88)34-72-64(95)57(38(7)82)81-58(89)44(25-17-18-26-67)75-60(91)48(31-51(69)85)77-61(92)49(32-52(70)86)76-59(90)45(27-39-20-12-10-13-21-39)78-65(96)55(36(4)5)79-63(94)47(30-50(68)84)73-53(87)29-41(83)22-14-9-11-19-35(2)3/h10,12-13,15-16,20-21,23-24,33,35-38,41,44-49,55-57,71,82-83H,8-9,11,14,17-19,22,25-32,34,67H2,1-7H3,(H2,68,84)(H2,69,85)(H2,70,86)(H,72,95)(H,73,87)(H,74,88)(H,75,91)(H,76,90)(H,77,92)(H,78,96)(H,79,94)(H,80,93)(H,81,89)(H,97,98) |
| InChI Key | MKGCAZKSZKRUSC-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C66H101N15O17 |
| Molecular Weight | 1376.60 g/mol |
| Exact Mass | 1375.74998681 g/mol |
| Topological Polar Surface Area (TPSA) | 540.00 Ų |
| XlogP | -2.30 |
| 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 | 99.93% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.46% | 91.11% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 99.36% | 90.20% |
| CHEMBL3837 | P07711 | Cathepsin L | 98.92% | 96.61% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 98.38% | 97.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.03% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.93% | 90.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 96.13% | 97.21% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 95.78% | 98.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.48% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.11% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.97% | 94.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 93.77% | 100.00% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 93.38% | 95.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 93.11% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.90% | 95.50% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 92.23% | 87.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.17% | 96.00% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 91.82% | 96.28% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 91.62% | 88.42% |
| CHEMBL3176 | O43603 | Galanin receptor 2 | 91.44% | 98.89% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 90.72% | 93.18% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 90.41% | 98.94% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 89.90% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.74% | 98.75% |
| CHEMBL4393 | P39900 | Matrix metalloproteinase 12 | 86.71% | 92.22% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 86.11% | 97.64% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 85.38% | 96.67% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 85.20% | 89.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.19% | 94.73% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.19% | 97.29% |
| CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 84.52% | 95.48% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 83.71% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.37% | 88.56% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 83.36% | 94.66% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 83.33% | 97.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.02% | 96.90% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.72% | 91.81% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.97% | 89.50% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.97% | 95.00% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 81.48% | 82.86% |
| CHEMBL1293287 | P14735 | Insulin-degrading enzyme | 80.76% | 88.10% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.27% | 91.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.25% | 96.95% |
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 | 139587388 |
| LOTUS | LTS0161002 |
| wikiData | Q77564892 |