SEQ2FUN

BioLiP

PDB CCD ID: E1P
Number of entries in BioLiP: 1
Chemical formula: C9 H15 N O3
InChI: InChI=1S/C9H15NO3/c1-2-13-9(12)8(11)10-6-4-3-5-7-10/h2-7H2,1H3
InChIKey: ASBDXHCMVYVJQQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCOC(=O)C(=O)N1CCCCC1
ACDLabs 10.04O=C(C(=O)OCC)N1CCCCC1
Name:ETHYL OXO(PIPERIDIN-1-YL)ACETATE
DrugBank: DB02419
ZINC: ZINC000002149356
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).