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BioLiP

PDB CCD ID: OHL
Number of entries in BioLiP: 1
Chemical formula: C15 H17 N3 O5 S
InChI: InChI=1S/C15H17N3O5S/c1-23-13-2-4-14(5-3-13)24(21,22)18(11-15(19)17-20)10-12-6-8-16-9-7-12/h2-9,20H,10-11H2,1H3,(H,17,19)
InChIKey: BWTYNJYIHZVAOW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2COc1ccc(cc1)S(=O)(=O)[N@@](Cc2ccncc2)CC(=O)NO
CACTVS 3.370COc1ccc(cc1)[S](=O)(=O)N(CC(=O)NO)Cc2ccncc2
ACDLabs 12.01O=S(=O)(N(Cc1ccncc1)CC(=O)NO)c2ccc(OC)cc2
OpenEye OEToolkits 1.7.2COc1ccc(cc1)S(=O)(=O)N(Cc2ccncc2)CC(=O)NO
Name:N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-4-ylmethyl)glycinamide;
N-Hydroxy-2-(4-methoxy-N-(pyridine-3-ylmethyl)phenylsulfonamido)acetamide
ChEMBL: CHEMBL315949
ZINC: ZINC000013764109

Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).
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