H-bAla(2-OH,3-heptyl)-DL-xiIle-DL-N(Me)Leu-DL-Pro-DL-Tyr-OH
| Internal ID | fc7226bd-7be7-4b81-b29b-0fc6958c5c49 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 2-[[1-[2-[[2-[(3-amino-2-hydroxydecanoyl)amino]-3-methylpentanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid |
| SMILES (Canonical) | CCCCCCCC(C(C(=O)NC(C(C)CC)C(=O)N(C)C(CC(C)C)C(=O)N1CCCC1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)O)N |
| SMILES (Isomeric) | CCCCCCCC(C(C(=O)NC(C(C)CC)C(=O)N(C)C(CC(C)C)C(=O)N1CCCC1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)O)N |
| InChI | InChI=1S/C37H61N5O8/c1-7-9-10-11-12-14-27(38)32(44)34(46)40-31(24(5)8-2)36(48)41(6)30(21-23(3)4)35(47)42-20-13-15-29(42)33(45)39-28(37(49)50)22-25-16-18-26(43)19-17-25/h16-19,23-24,27-32,43-44H,7-15,20-22,38H2,1-6H3,(H,39,45)(H,40,46)(H,49,50) |
| InChI Key | ADNMWMDCUDFUHQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H61N5O8 |
| Molecular Weight | 703.90 g/mol |
| Exact Mass | 703.45201392 g/mol |
| Topological Polar Surface Area (TPSA) | 203.00 Ų |
| XlogP | 2.80 |
| 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 | 99.96% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.84% | 96.61% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 99.75% | 89.63% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 99.18% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.87% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 98.49% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.97% | 99.17% |
| CHEMBL4123 | P30989 | Neurotensin receptor 1 | 96.93% | 96.67% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 96.13% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 96.11% | 98.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 95.72% | 90.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 95.52% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 95.40% | 91.19% |
| CHEMBL268 | P43235 | Cathepsin K | 94.59% | 96.85% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 94.58% | 90.20% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 94.42% | 92.86% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 93.67% | 98.10% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 93.60% | 93.10% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 93.48% | 91.81% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 92.92% | 91.76% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 92.19% | 97.50% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.05% | 97.29% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.93% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.84% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.66% | 95.89% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 90.72% | 97.64% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 90.69% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.13% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.60% | 93.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.36% | 97.14% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.07% | 95.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.87% | 95.89% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 88.80% | 95.52% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 87.84% | 96.37% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.49% | 90.08% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 86.99% | 98.24% |
| CHEMBL4072 | P07858 | Cathepsin B | 86.56% | 93.67% |
| CHEMBL236 | P41143 | Delta opioid receptor | 85.76% | 99.35% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.98% | 82.38% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 84.75% | 90.24% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 84.60% | 95.00% |
| CHEMBL4198 | P98170 | Inhibitor of apoptosis protein 3 | 83.59% | 97.79% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.10% | 94.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.92% | 97.25% |
| CHEMBL3024 | P53350 | Serine/threonine-protein kinase PLK1 | 80.05% | 97.43% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 73836974 |
| LOTUS | LTS0077652 |
| wikiData | Q103816017 |