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BioLiP Library

PDB CCD ID: A4Z
Number of entries in BioLiP: 1
Chemical formula: C12 H17 N O3
InChI: InChI=1S/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)
InChIKey: MXJWRABVEGLYDG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCCCOc1ccc(cc1)CC(=O)NO
ACDLabs 12.01C(C(=O)NO)c1ccc(cc1)OCCCC
CACTVS 3.385CCCCOc1ccc(CC(=O)NO)cc1
Name:2-(4-butoxyphenyl)-N-hydroxyacetamide
ChEMBL: CHEMBL94394
DrugBank: DB13346
ZINC: ZINC000003871797
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)(download the PDF file).
  • 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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