Structure of PDB 1okm Chain A Binding Site BS02 |
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Ligand ID | SAB |
InChI | InChI=1S/C11H17N3O3S/c12-7-1-2-8-14-11(15)9-3-5-10(6-4-9)18(13,16)17/h3-6H,1-2,7-8,12H2,(H,14,15)(H2,13,16,17) |
InChIKey | ZDYFRIZTYRFPJC-UHFFFAOYSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | c1cc(ccc1C(=O)NCCCCN)S(=O)(=O)N | ACDLabs 10.04 | O=S(=O)(N)c1ccc(C(=O)NCCCCN)cc1 | CACTVS 3.341 | NCCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O |
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Formula | C11 H17 N3 O3 S |
Name | 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE |
ChEMBL | CHEMBL331282 |
DrugBank | DB03697 |
ZINC |
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PDB chain | 1okm Chain A Residue 555
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