Ac-Aib-Pro-Aib-Ala-Aib-Ala-Gln-Aib-Leu-Aib-Gly-Aib-Aib-Pro-Val-Aib-Aib-Gln-Gln-xiIle-ol
| Internal ID | c35f3323-8946-4e98-b054-23a773ec66ce |
| Taxonomy | Organic Polymers > Polypeptides |
| IUPAC Name | (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-1-(2-acetamido-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-N-[1-[[(2S)-1-[[1-[[2-[[1-[[1-[(2S)-2-[[(2S)-1-[[1-[[1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]pentanediamide |
| SMILES (Canonical) | CCC(C)C(CO)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)CNC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C2CCCN2C(=O)C(C)(C)NC(=O)C |
| SMILES (Isomeric) | CCC(C)[C@@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)CNC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)NC(=O)C |
| InChI | InChI=1S/C88H151N23O24/c1-28-46(6)54(43-112)97-64(120)50(33-36-57(89)114)96-65(121)51(34-37-58(90)115)98-75(131)84(18,19)108-77(133)86(22,23)107-70(126)61(45(4)5)100-68(124)55-31-29-39-110(55)79(135)88(26,27)109-76(132)85(20,21)102-60(117)42-92-71(127)80(10,11)105-67(123)53(41-44(2)3)99-74(130)83(16,17)104-66(122)52(35-38-59(91)116)95-62(118)47(7)93-72(128)81(12,13)103-63(119)48(8)94-73(129)82(14,15)106-69(125)56-32-30-40-111(56)78(134)87(24,25)101-49(9)113/h44-48,50-56,61,112H,28-43H2,1-27H3,(H2,89,114)(H2,90,115)(H2,91,116)(H,92,127)(H,93,128)(H,94,129)(H,95,118)(H,96,121)(H,97,120)(H,98,131)(H,99,130)(H,100,124)(H,101,113)(H,102,117)(H,103,119)(H,104,122)(H,105,123)(H,106,125)(H,107,126)(H,108,133)(H,109,132)/t46?,47-,48-,50-,51-,52-,53-,54+,55-,56-,61-/m0/s1 |
| InChI Key | OHIBKPQBJOSRSQ-FENMDWRWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C88H151N23O24 |
| Molecular Weight | 1915.30 g/mol |
| Exact Mass | 1914.13023278 g/mol |
| Topological Polar Surface Area (TPSA) | 714.00 Ų |
| XlogP | -3.50 |
| 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 | 99.81% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.64% | 96.61% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 99.39% | 94.45% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 99.01% | 98.94% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 98.57% | 98.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 98.11% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.86% | 96.09% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 97.43% | 92.38% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 97.33% | 98.24% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 97.29% | 94.66% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 96.91% | 95.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 96.38% | 96.47% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.35% | 97.09% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 96.13% | 100.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 96.06% | 100.00% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 95.94% | 96.31% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 95.92% | 97.64% |
| CHEMBL4625 | Q07817 | Apoptosis regulator Bcl-X | 95.88% | 99.77% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 95.80% | 95.38% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 95.68% | 98.05% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 95.25% | 92.12% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 95.16% | 96.67% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 95.09% | 87.16% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 94.70% | 91.19% |
| CHEMBL236 | P41143 | Delta opioid receptor | 94.66% | 99.35% |
| CHEMBL4801 | P29466 | Caspase-1 | 94.49% | 96.85% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 94.45% | 100.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.43% | 89.63% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 94.36% | 98.10% |
| CHEMBL283 | P08254 | Matrix metalloproteinase 3 | 93.74% | 97.29% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 93.70% | 83.14% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 93.44% | 95.71% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 93.25% | 95.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 93.11% | 97.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.94% | 82.69% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 92.24% | 92.86% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 92.23% | 97.64% |
| CHEMBL3176 | O43603 | Galanin receptor 2 | 91.90% | 98.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.77% | 97.25% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 91.61% | 93.33% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 91.35% | 96.03% |
| CHEMBL4123 | P30989 | Neurotensin receptor 1 | 91.29% | 96.67% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 91.11% | 88.42% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.11% | 97.29% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 90.82% | 83.10% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 90.74% | 97.50% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 90.05% | 94.00% |
| CHEMBL3024 | P53350 | Serine/threonine-protein kinase PLK1 | 89.93% | 97.43% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 89.18% | 96.28% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 89.13% | 97.23% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 88.34% | 97.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.97% | 100.00% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 87.93% | 95.36% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.70% | 99.17% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 87.52% | 98.46% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.50% | 94.45% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 87.39% | 97.47% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.33% | 91.11% |
| CHEMBL3238 | P23786 | Carnitine palmitoyltransferase 2 | 87.08% | 94.05% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.96% | 94.33% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 86.89% | 96.33% |
| CHEMBL3105 | P09874 | Poly [ADP-ribose] polymerase-1 | 86.81% | 93.90% |
| CHEMBL3018 | Q9Y5Y6 | Matriptase | 86.59% | 98.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.46% | 96.00% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 85.93% | 95.27% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 85.93% | 89.33% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 85.85% | 96.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.44% | 90.17% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 85.26% | 96.67% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.09% | 93.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 85.00% | 90.24% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.50% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.37% | 90.71% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 84.35% | 99.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.26% | 96.38% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 83.86% | 92.50% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 83.55% | 88.81% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.55% | 96.90% |
| CHEMBL274 | P51681 | C-C chemokine receptor type 5 | 83.47% | 98.77% |
| CHEMBL4246 | P42680 | Tyrosine-protein kinase TEC | 83.43% | 82.05% |
| CHEMBL3776 | Q14790 | Caspase-8 | 83.28% | 97.06% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.77% | 96.95% |
| CHEMBL5028 | O14672 | ADAM10 | 82.58% | 97.50% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 82.53% | 95.52% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 81.65% | 94.05% |
| CHEMBL2474 | P53582 | Methionine aminopeptidase 1 | 81.62% | 97.09% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.49% | 95.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.44% | 97.21% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.15% | 82.38% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 80.46% | 92.80% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.17% | 89.62% |
| CHEMBL3691 | Q13822 | Autotaxin | 80.15% | 96.39% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.06% | 90.08% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.00% | 93.04% |
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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| PubChem | 101639443 |
| LOTUS | LTS0185815 |
| wikiData | Q105192093 |