| PDB CCD ID: | PYV |
| Number of entries in BioLiP: | 30 |
| Chemical formula: | C16 H13 Br N2 O2 S |
| InChI: | InChI=1S/C16H13BrN2O2S/c17-15-8-9-16(14-7-2-1-6-13(14)15)22(20,21)19-11-12-5-3-4-10-18-12/h1-10,19H,11H2 |
| InChIKey: | GJSDYQXOSHKOGX-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | Brc2c1c(cccc1)c(cc2)S(=O)(=O)NCc3ncccc3 | | OpenEye OEToolkits 1.7.0 | c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3 | | CACTVS 3.370 | Brc1ccc(c2ccccc12)[S](=O)(=O)NCc3ccccn3 |
|
| Name: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide;
Pyrabactin |
| ChEMBL: | CHEMBL1235543 |
| ZINC: | ZINC000000864555 |
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