SEQ2FUN

BioLiP

PDB CCD ID: NVJ
Number of entries in BioLiP: 1
Chemical formula: C10 H13 N O2
InChI: InChI=1S/C10H13NO2/c1-2-13-10(12)11-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)
InChIKey: XSXLCQLOFRENHC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N(Cc1ccccc1)C(=O)OCC
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCOC(=O)NCc1ccccc1
Name:ethyl benzylcarbamate
ChEMBL: CHEMBL1491504
ZINC: ZINC000000145618
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).