SEQ2FUN

BioLiP

PDB CCD ID: N9J
Number of entries in BioLiP: 4
Chemical formula: C8 H9 N O3
InChI: InChI=1S/C8H9NO3/c10-8(9-11)12-6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10)
InChIKey: PQBSPTAPCMSZAA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)COC(=O)NO
CACTVS 3.385ONC(=O)OCc1ccccc1
ACDLabs 12.01c1cccc(c1)COC(=O)NO
Name:benzyl hydroxycarbamate
ChEMBL: CHEMBL1086896
ZINC: ZINC000000389485
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).