SEQ2FUN

BioLiP

PDB CCD ID: 959
Number of entries in BioLiP: 1
Chemical formula: C11 H13 N O3
InChI: InChI=1S/C11H13NO3/c1-9(13)7-12-11(14)15-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14)
InChIKey: GVRXLHLFAABVLJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC(=O)CNC(=O)OCc1ccccc1
ACDLabs 10.04O=C(C)CNC(=O)OCc1ccccc1
Name:benzyl (2-oxopropyl)carbamate
DrugBank: DB07293
ZINC: ZINC000032602822
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).