Zorbamycin
| Internal ID | f5082463-940e-4c95-965b-e19853e80877 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides > Hybrid glycopeptides |
| IUPAC Name | [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(3R,4S,5S)-6-[[(2S)-1-[2-[(4R)-4-[4-[(3-amino-3-iminopropyl)carbamoyl]-1,3-thiazol-2-yl]-4,5-dihydro-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1,4-dihydroxy-5-methyl-6-oxohexan-3-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC(C2=CN=CN2)C(C(=O)NC(CCO)C(C(C)C(=O)NC(C(=O)NCCC3=NC(CS3)C4=NC(=CS4)C(=O)NCCC(=N)N)C(C)(C)O)O)NC(=O)C5=C(C(=NC(=N5)C(CC(=O)N)NCC(C(=O)N)N)N)C)OC6C(C(C(C(O6)CO)O)OC(=O)N)O)O)O |
| SMILES (Isomeric) | C[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H](C2=CN=CN2)[C@@H](C(=O)N[C@H](CCO)[C@H]([C@H](C)C(=O)N[C@H](C(=O)NCCC3=N[C@H](CS3)C4=NC(=CS4)C(=O)NCCC(=N)N)C(C)(C)O)O)NC(=O)C5=C(C(=NC(=N5)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)N)C)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)OC(=O)N)O)O)O |
| InChI | InChI=1S/C55H85N19O21S2/c1-19-32(71-45(74-43(19)60)24(12-30(59)77)66-13-22(56)44(61)83)48(86)72-33(39(25-14-63-18-67-25)93-53-41(37(81)35(79)21(3)91-53)94-52-38(82)40(95-54(62)89)36(80)28(15-76)92-52)49(87)69-23(8-11-75)34(78)20(2)46(84)73-42(55(4,5)90)50(88)65-10-7-31-68-27(17-96-31)51-70-26(16-97-51)47(85)64-9-6-29(57)58/h14,16,18,20-24,27-28,33-42,52-53,66,75-76,78-82,90H,6-13,15,17,56H2,1-5H3,(H3,57,58)(H2,59,77)(H2,61,83)(H2,62,89)(H,63,67)(H,64,85)(H,65,88)(H,69,87)(H,72,86)(H,73,84)(H2,60,71,74)/t20-,21-,22-,23+,24-,27+,28+,33-,34-,35+,36+,37-,38-,39-,40-,41-,42+,52+,53-/m0/s1 |
| InChI Key | UJKRUPHWCPAJIL-CPLCKGKLSA-N |
| Popularity | 29 references in papers |
| Molecular Formula | C55H85N19O21S2 |
| Molecular Weight | 1412.50 g/mol |
| Exact Mass | 1411.56088314 g/mol |
| Topological Polar Surface Area (TPSA) | 730.00 Ų |
| XlogP | -10.50 |
| Zorbamycin [USAN] |
| 11056-20-5 |
| UNII-IQZ99Q218Q |
| IQZ99Q218Q |
| U-30604 |
| U-30,604 |
| CHEBI:67811 |
| DTXSID80149300 |
| Q27136288 |
| ANTIBIOTIC DERIVED FROM STREPTOMYCES BIKINIENSIS VARIANT |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.45% | 96.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 99.32% | 96.21% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 99.23% | 97.36% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 99.11% | 98.05% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 97.55% | 94.73% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 97.40% | 92.29% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.34% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.85% | 91.11% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 96.63% | 95.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.43% | 97.25% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 96.37% | 92.68% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.33% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.29% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.22% | 98.95% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 95.08% | 95.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.68% | 97.79% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 93.95% | 96.90% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 93.71% | 97.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.45% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.43% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.15% | 94.45% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 93.05% | 89.34% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 92.52% | 96.28% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 91.84% | 97.53% |
| CHEMBL5028 | O14672 | ADAM10 | 91.28% | 97.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.53% | 99.17% |
| CHEMBL1628481 | P35414 | Apelin receptor | 89.82% | 97.89% |
| CHEMBL3778 | Q9NWZ3 | Interleukin-1 receptor-associated kinase 4 | 88.75% | 97.29% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 88.61% | 94.00% |
| CHEMBL1881 | P43116 | Prostanoid EP2 receptor | 88.55% | 93.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 87.83% | 85.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.45% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.96% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.00% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.94% | 90.71% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 85.57% | 82.86% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 85.48% | 89.67% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.31% | 95.89% |
| CHEMBL3776 | Q14790 | Caspase-8 | 83.98% | 97.06% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.36% | 100.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 83.06% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.00% | 95.89% |
| CHEMBL4506 | Q96EB6 | NAD-dependent deacetylase sirtuin 1 | 82.51% | 88.33% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 82.18% | 97.03% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 82.12% | 95.69% |
| CHEMBL4015 | P41597 | C-C chemokine receptor type 2 | 81.92% | 98.57% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.77% | 89.50% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.55% | 90.08% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.06% | 95.50% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 80.80% | 92.51% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 80.63% | 97.23% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.26% | 100.00% |
| CHEMBL3784 | Q09472 | Histone acetyltransferase p300 | 80.06% | 93.33% |
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 | 70697970 |
| LOTUS | LTS0078164 |
| wikiData | Q27136288 |