Structure of PDB 2ql6 Chain H Binding Site BS03 |
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| Ligand ID | TIZ |
| InChI | InChI=1S/C9H12N2O5S/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1 |
| InChIKey | FVRDYQYEVDDKCR-DBRKOABJSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | NC(=O)c1csc(n1)[CH]2O[CH](CO)[CH](O)[CH]2O | | OpenEye OEToolkits 1.5.0 | c1c(nc(s1)C2C(C(C(O2)CO)O)O)C(=O)N | | OpenEye OEToolkits 1.5.0 | c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N | | CACTVS 3.341 | NC(=O)c1csc(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O | | ACDLabs 10.04 | O=C(c1nc(sc1)C2OC(C(O)C2O)CO)N |
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| Formula | C9 H12 N2 O5 S |
| Name | (1R)-1-[4-(AMINOCARBONYL)-1,3-THIAZOL-2-YL]-1,4-ANHYDRO-D-RIBITOL;
TIAZOFURIN |
| ChEMBL | CHEMBL108358 |
| DrugBank | DB13243 |
| ZINC | ZINC000004217560
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| PDB chain | 2ql6 Chain H Residue 302
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| Enzyme Commision number |
2.7.1.173: nicotinate riboside kinase.
2.7.1.22: ribosylnicotinamide kinase. |
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