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Ligand Download |
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| Ligand Name: Ethambutol | ||
| HET ID: 95E | PubChem: 14052 | |
| DrugBank: DB00330 | ChEMBL: CHEMBL44884 | |
| Canonical SMILES: CC[C@H](NCCN[C@H](CO)CC)CO | ||
| Standard InChI: InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1 | ||
| Molecular Formula: C10H24N2O2 | Mol. Weight: 204.30975 | Heavy Atoms: 14 |
| Charge: 0 | Is Chiral: True | logP: 0.4892 |
| HBD: 4 | HBA: 4 | TPSA: 64.52 |
| #Bonds: 15 | #Rotatable Bonds: 9 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.2 | ||
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
| Probable arabinosyltransferase B | P9WNL7 (EMBB_MYCTU) | Mycobacterium tuberculosis | 7BVF |
- |
- |
SHOW |
| DNA (cytosine-5)-methyltransferase 3B | Q9UBC3 (DNM3B_HUMAN) | Homo sapiens | 5NR3 |
- |
- |
SHOW |
| Probable arabinosyltransferase A | A0R614 (A0R614_MYCS2) | Mycolicibacterium smegmatis | 7BVE |
- |
- |
SHOW |
| Probable arabinosyltransferase A | A0R614 (A0R614_MYCS2) | Mycolicibacterium smegmatis | 7BVC |
- |
- |
SHOW |