H-DL-Pyr-Asn-Pro-DL-Asn-Arg-Phe-Ile-Gly-Leu-Met-NH2
| Internal ID | d6b4a938-f9c3-4812-9688-d815148d9e2b |
| Taxonomy | Organic Polymers > Polypeptides |
| IUPAC Name | N-[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-1-[(2S)-4-amino-4-oxo-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoyl]pyrrolidine-2-carbonyl]amino]butanediamide |
| SMILES (Canonical) | CCC(C)C(C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)N)NC(=O)C2CCCN2C(=O)C(CC(=O)N)NC(=O)C3CCC(=O)N3 |
| SMILES (Isomeric) | CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C(CC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)N)NC(=O)C3CCC(=O)N3 |
| InChI | InChI=1S/C52H82N16O13S/c1-6-28(4)42(50(80)59-26-41(72)61-33(22-27(2)3)46(76)62-30(43(55)73)18-21-82-5)67-48(78)34(23-29-12-8-7-9-13-29)64-44(74)31(14-10-19-58-52(56)57)63-47(77)35(24-38(53)69)65-49(79)37-15-11-20-68(37)51(81)36(25-39(54)70)66-45(75)32-16-17-40(71)60-32/h7-9,12-13,27-28,30-37,42H,6,10-11,14-26H2,1-5H3,(H2,53,69)(H2,54,70)(H2,55,73)(H,59,80)(H,60,71)(H,61,72)(H,62,76)(H,63,77)(H,64,74)(H,65,79)(H,66,75)(H,67,78)(H4,56,57,58)/t28-,30-,31-,32?,33-,34-,35?,36-,37-,42-/m0/s1 |
| InChI Key | GGIXGYYACCFXOQ-SDSVEIOUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C52H82N16O13S |
| Molecular Weight | 1171.40 g/mol |
| Exact Mass | 1170.59679791 g/mol |
| Topological Polar Surface Area (TPSA) | 501.00 Ų |
| XlogP | -3.20 |
| 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 | 99.99% | 98.95% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 99.62% | 98.33% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 99.44% | 97.64% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 99.36% | 89.63% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 99.06% | 95.52% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.84% | 96.09% |
| CHEMBL204 | P00734 | Thrombin | 98.68% | 96.01% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 98.65% | 100.00% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 98.31% | 96.67% |
| CHEMBL4123 | P30989 | Neurotensin receptor 1 | 97.71% | 96.67% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 97.65% | 94.66% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 97.31% | 95.38% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 97.13% | 91.81% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 96.12% | 98.24% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 96.06% | 88.42% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 95.87% | 93.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.76% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.74% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 95.59% | 90.71% |
| CHEMBL3837 | P07711 | Cathepsin L | 95.46% | 96.61% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 95.35% | 98.10% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 95.01% | 90.20% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 94.76% | 98.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.75% | 95.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 94.59% | 100.00% |
| CHEMBL4644 | P41968 | Melanocortin receptor 3 | 94.10% | 99.52% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.80% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.71% | 90.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 93.64% | 97.14% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 92.88% | 96.47% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.75% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.16% | 99.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.03% | 82.69% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 91.39% | 97.50% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 91.31% | 93.03% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 91.22% | 100.00% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 90.81% | 97.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.22% | 91.19% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.39% | 96.00% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 89.24% | 96.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.12% | 98.75% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 88.66% | 95.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.84% | 90.08% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 86.81% | 96.67% |
| CHEMBL2803 | P43403 | Tyrosine-protein kinase ZAP-70 | 86.75% | 82.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.94% | 95.89% |
| CHEMBL4608 | P33032 | Melanocortin receptor 5 | 85.27% | 97.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.88% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.70% | 95.89% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.52% | 82.38% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 84.36% | 90.24% |
| CHEMBL236 | P41143 | Delta opioid receptor | 84.24% | 99.35% |
| CHEMBL5028 | O14672 | ADAM10 | 83.99% | 97.50% |
| CHEMBL4801 | P29466 | Caspase-1 | 83.85% | 96.85% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 83.78% | 98.89% |
| CHEMBL4461 | Q9NTG7 | NAD-dependent deacetylase sirtuin 3 | 82.57% | 94.36% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.28% | 90.24% |
| CHEMBL3729 | P22748 | Carbonic anhydrase IV | 81.56% | 99.23% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.53% | 98.59% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 81.29% | 96.25% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.28% | 88.56% |
| CHEMBL4625 | Q07817 | Apoptosis regulator Bcl-X | 81.18% | 99.77% |
| CHEMBL3024 | P53350 | Serine/threonine-protein kinase PLK1 | 81.08% | 97.43% |
| CHEMBL3176 | O43603 | Galanin receptor 2 | 81.02% | 98.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.02% | 90.00% |
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 | 168489 |
| LOTUS | LTS0137606 |
| wikiData | Q105106844 |