SEQ2FUN

BioLiP

PDB CCD ID: YJ5
Number of entries in BioLiP: 3
Chemical formula: C17 H26 N2 O3
InChI: InChI=1S/C17H26N2O3/c1-3-5-7-16(20)19(12-6-4-2)13-14-8-10-15(11-9-14)17(21)18-22/h8-11,22H,3-7,12-13H2,1-2H3,(H,18,21)
InChIKey: RUZXVBRXLWFADZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)CCCC
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		CCCCC(=O)N(CCCC)Cc1ccc(cc1)C(=O)NO
Name:4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide
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).