SEQ2FUN

BioLiP

PDB CCD ID: A1BDH
Number of entries in BioLiP: 1
Chemical formula: C8 H15 N O2
InChI: InChI=1S/C8H15NO2/c1-7(10)9-6-8(11)4-2-3-5-8/h11H,2-6H2,1H3,(H,9,10)
InChIKey: IIFWACAPYZGELU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)NCC1(O)CCCC1
OpenEye OEToolkits 3.1.0.0CC(=O)NCC1(CCCC1)O
ACDLabs 14.52OC1(CNC(C)=O)CCCC1
Name:N-[(1-hydroxycyclopentyl)methyl]acetamide
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).