Structure of PDB 1v0o Chain B Binding Site BS01 |
|
|
|
| Ligand ID | INR |
| InChI | InChI=1S/C16H10N2O5S/c19-15-9-3-1-2-4-11(9)17-14(15)13-10-7-8(24(21,22)23)5-6-12(10)18-16(13)20/h1-7,17H,(H,18,20)(H,21,22,23)/b14-13- |
| InChIKey | IHBOEHLUIBMBMY-YPKPFQOOSA-N |
| SMILES | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=S(=O)(O)c1cc\2c(cc1)NC(=O)C/2=C4\C(=O)c3ccccc3N4 | | OpenEye OEToolkits 1.5.0 | c1ccc2c(c1)C(=O)C(=C3c4cc(ccc4NC3=O)S(=O)(=O)O)N2 | | CACTVS 3.341 | O[S](=O)(=O)c1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 | | CACTVS 3.341 | O[S](=O)(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4C3=O)c2c1 | | OpenEye OEToolkits 1.5.0 | c1ccc2c(c1)C(=O)/C(=C/3\c4cc(ccc4NC3=O)S(=O)(=O)O)/N2 |
|
| Formula | C16 H10 N2 O5 S |
| Name | 2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID;
INDIRUBIN-5-SULPHONATE |
| ChEMBL | CHEMBL1208600 |
| DrugBank | DB02519 |
| ZINC |
|
| PDB chain | 1v0o Chain B Residue 2638
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|
|
|
|
|
