SEQ2FUN

BioLiP

PDB CCD ID: FK8
Number of entries in BioLiP: 1
Chemical formula: C8 H9 N O2
InChI: InChI=1S/C8H9NO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
InChIKey: PUJDIJCNWFYVJX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)OCc1ccccc1
OpenEye OEToolkits 2.0.6c1ccc(cc1)COC(=O)N
Name:(phenylmethyl) carbamate
ChEMBL: CHEMBL2259788
ZINC: ZINC000000157187
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).