PRD_002603
Summary
| Name: | manikomycin (MKM) |
| Formula: | C50 H86 N22 O12 |
| Fomular weight: | 1187.358 |
| Component type: | peptide-like |
| Polymer sequences: | DAR, ORD, DPN, THR, DSG, DAR, DAR, THR, HIS |
| Non-polymer components: | |
| BIRD class: | Antimicrobial |
| Represented as: | polymer |
| Compound Details: | It can kill multi-drug-resistant Enterobacteriaceae and is not susceptible to resistance associated with clinically used antibiotics. Manikomycin binds the E site of the bacterial ribosome, blocking tRNA exit and halting translation in a sequence-specific manner. |
| Description: | Cyclic depsipeptide |
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [[3-[(3~{S},6~{S},9~{R},12~{R},15~{R},18~{S},19~{R})-18-[[(2~{R})-2-[[(2~{R})-2-[[(2~{R})-5-[[azaniumylidene(azanyl)methyl]amino]-2-azanyl-pentanoyl]amino]-5-azanyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-9-[3-[[azaniumylidene(azanyl)methyl]amino]propyl]-15-(2-azanyl-2-oxidanylidene-ethyl)-3-(1~{H}-imidazol-3-ium-4-ylmethyl)-19-methyl-6-[(1~{R})-1-oxidanylethyl]-2,5,8,11,14,17-hexakis(oxidanylidene)-1-oxa-4,7,10,13,16-pentazacyclononadec-12-yl]propylamino]-azanyl-methylidene]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCN)NC(=O)[C@H](N)CCCNC(N)=[NH2+])[C@@H](C)OC(=O)[C@H](Cc3c[nH]c[nH+]3)NC1=O |
| SMILES | CACTVS | 3.385 | C[CH](O)[CH]1NC(=O)[CH](CCCNC(N)=[NH2+])NC(=O)[CH](CCCNC(N)=[NH2+])NC(=O)[CH](CC(N)=O)NC(=O)[CH](NC(=O)[CH](Cc2ccccc2)NC(=O)[CH](CCCN)NC(=O)[CH](N)CCCNC(N)=[NH2+])[CH](C)OC(=O)[CH](Cc3c[nH]c[nH+]3)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)Cc2c[nH]c[nH+]2)[C@@H](C)O)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CC(=O)N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCN)NC(=O)[C@@H](CCCNC(=[NH2+])N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)Cc2c[nH]c[nH+]2)C(C)O)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CC(=O)N)NC(=O)C(Cc3ccccc3)NC(=O)C(CCCN)NC(=O)C(CCCNC(=[NH2+])N)N |
