H-Glu-Gly-Gly-Gly-Asn-Arg-Gly-Asp-Pro-Ser-Gly-Val-Cys((E,E)-farnesyl)-OH
| Internal ID | 5cceb3d0-ef82-4028-a6f9-7d36dfba3969 |
| Taxonomy | Organic Polymers > Polypeptides |
| IUPAC Name | (4S)-4-amino-5-[[2-[[2-[[2-[[(2S)-4-amino-1-[[(2S)-1-[[2-[[(2S)-3-carboxy-1-[(2S)-2-[[(2S)-1-[[2-[[(2S)-1-[[(1R)-1-carboxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid |
| SMILES (Canonical) | CC(C)C(C(=O)NC(CSCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)O)NC(=O)CNC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)CNC(=O)CNC(=O)C(CCC(=O)O)N |
| SMILES (Isomeric) | CC(C)[C@@H](C(=O)N[C@@H](CSC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCC(=O)O)N |
| InChI | InChI=1S/C60H97N17O20S/c1-32(2)11-7-12-34(5)13-8-14-35(6)19-22-98-31-41(59(96)97)75-57(94)51(33(3)4)76-48(84)29-70-54(91)40(30-78)74-56(93)42-16-10-21-77(42)58(95)39(24-50(87)88)72-47(83)28-69-53(90)37(15-9-20-65-60(63)64)73-55(92)38(23-43(62)79)71-46(82)27-67-44(80)25-66-45(81)26-68-52(89)36(61)17-18-49(85)86/h11,13,19,33,36-42,51,78H,7-10,12,14-18,20-31,61H2,1-6H3,(H2,62,79)(H,66,81)(H,67,80)(H,68,89)(H,69,90)(H,70,91)(H,71,82)(H,72,83)(H,73,92)(H,74,93)(H,75,94)(H,76,84)(H,85,86)(H,87,88)(H,96,97)(H4,63,64,65)/b34-13+,35-19+/t36-,37-,38-,39-,40-,41-,42-,51-/m0/s1 |
| InChI Key | NJFDXFVHDXDFGP-JDYVOHCNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C60H97N17O20S |
| Molecular Weight | 1408.60 g/mol |
| Exact Mass | 1407.68164973 g/mol |
| Topological Polar Surface Area (TPSA) | 631.00 Ų |
| XlogP | -6.40 |
| 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 | 99.87% | 98.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 99.77% | 93.10% |
| CHEMBL204 | P00734 | Thrombin | 99.62% | 96.01% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 99.47% | 98.33% |
| CHEMBL236 | P41143 | Delta opioid receptor | 99.28% | 99.35% |
| CHEMBL4801 | P29466 | Caspase-1 | 99.27% | 96.85% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 98.93% | 100.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 98.71% | 94.66% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 98.55% | 96.67% |
| CHEMBL3468 | P55210 | Caspase-7 | 98.52% | 95.68% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 98.45% | 98.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.23% | 96.09% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 98.00% | 88.42% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.75% | 91.11% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 97.69% | 96.03% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 97.59% | 98.10% |
| CHEMBL4625 | Q07817 | Apoptosis regulator Bcl-X | 97.37% | 99.77% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 96.89% | 93.00% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 96.80% | 98.24% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.38% | 94.45% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 96.23% | 95.52% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.21% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 95.82% | 96.47% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 95.69% | 100.00% |
| CHEMBL4123 | P30989 | Neurotensin receptor 1 | 95.25% | 96.67% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.22% | 96.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 95.21% | 82.69% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 95.18% | 95.38% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.11% | 93.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 94.98% | 91.19% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 94.32% | 92.38% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 94.27% | 93.33% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 94.04% | 94.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 93.95% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.86% | 90.71% |
| CHEMBL3024 | P53350 | Serine/threonine-protein kinase PLK1 | 93.79% | 97.43% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 93.75% | 95.00% |
| CHEMBL3776 | Q14790 | Caspase-8 | 93.68% | 97.06% |
| CHEMBL3176 | O43603 | Galanin receptor 2 | 93.50% | 98.89% |
| CHEMBL2334 | P42574 | Caspase-3 | 92.84% | 98.25% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.79% | 90.20% |
| CHEMBL249 | P25103 | Neurokinin 1 receptor | 92.66% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.58% | 90.17% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 92.34% | 95.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 92.13% | 97.21% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 91.97% | 95.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.78% | 97.09% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 91.46% | 82.38% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 91.46% | 97.50% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.98% | 89.63% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 90.61% | 94.45% |
| CHEMBL4644 | P41968 | Melanocortin receptor 3 | 90.56% | 99.52% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.48% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.40% | 95.50% |
| CHEMBL4608 | P33032 | Melanocortin receptor 5 | 90.37% | 97.00% |
| CHEMBL3784 | Q09472 | Histone acetyltransferase p300 | 90.28% | 93.33% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.48% | 92.08% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 89.41% | 97.23% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.34% | 90.08% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 88.48% | 87.16% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.50% | 89.50% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 86.83% | 83.14% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 86.53% | 96.25% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 86.22% | 90.24% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.85% | 95.89% |
| CHEMBL3629 | P68400 | Casein kinase II alpha | 85.64% | 98.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.46% | 95.89% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 85.05% | 89.33% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.83% | 95.71% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.82% | 94.33% |
| CHEMBL3018 | Q9Y5Y6 | Matriptase | 84.51% | 98.33% |
| CHEMBL5251 | Q06187 | Tyrosine-protein kinase BTK | 84.23% | 98.51% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 84.21% | 97.86% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 83.73% | 92.50% |
| CHEMBL4822 | P56817 | Beta-secretase 1 | 83.63% | 97.35% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 83.59% | 96.28% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.51% | 97.14% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.08% | 97.50% |
| CHEMBL2803 | P43403 | Tyrosine-protein kinase ZAP-70 | 82.72% | 82.50% |
| CHEMBL4330 | Q9NS75 | Cysteinyl leukotriene receptor 2 | 82.69% | 98.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.60% | 97.29% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 82.16% | 97.88% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 81.02% | 96.31% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.30% | 85.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 80.28% | 97.64% |
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 | 101599802 |
| LOTUS | LTS0201058 |
| wikiData | Q105180108 |