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| Ligand ID | XXX |
| InChI | InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1 |
| InChIKey | SYJXFKPQNSDJLI-HKEUSBCWSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.341 | NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O)[CH]2O)[CH](N)[CH](O)[CH]1O | | OpenEye OEToolkits 1.5.0 | C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)O)O)N | | CACTVS 3.341 | NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O | | ACDLabs 10.04 | O(C1C(O)C(O)C(N)CC1N)C2OC(C(O)C(O)C2N)CN | | OpenEye OEToolkits 1.5.0 | C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O)O)N |
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| Formula | C12 H26 N4 O6 |
| Name | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside;
(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRA N-3,4-DIOL;
NEOMYCIN A;
NEAMINE;
(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucoside;
(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-D-glucoside;
(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-glucoside |
| ChEMBL | CHEMBL427409 |
| DrugBank | DB04808 |
| ZINC | ZINC000004095654
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| PDB chain | 6e0d Chain A Residue 502
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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