SEQ2FUN

BioLiP

PDB CCD ID: XCH
Number of entries in BioLiP: 2
Chemical formula: C11 H14 Cl N O3
InChI: InChI=1S/C11H14ClNO3/c1-8-7-9(12)4-5-10(8)16-6-2-3-11(14)13-15/h4-5,7,15H,2-3,6H2,1H3,(H,13,14)
InChIKey: JHSXDAWGLCZYSM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cc(Cl)ccc1OCCCC(=O)NO
OpenEye OEToolkits 1.9.2Cc1cc(ccc1OCCCC(=O)NO)Cl
ACDLabs 12.01Clc1ccc(c(c1)C)OCCCC(NO)=O
Name:Droxinostat;
4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide
ChEMBL: CHEMBL1526649
ZINC: ZINC000004148260
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).