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BioLiP

PDB CCD ID: LOK
Number of entries in BioLiP: 1
Chemical formula: C10 H12 N2 O4
InChI: InChI=1S/C10H12N2O4/c1-15-9(13)11-7-4-3-5-8(6-7)12-10(14)16-2/h3-6H,1-2H3,(H,11,13)(H,12,14)
InChIKey: BQFREXSKWBUSAP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COC(=O)Nc1cccc(c1)NC(=O)OC
CACTVS 3.385COC(=O)Nc1cccc(NC(=O)OC)c1
Name:methyl ~{N}-[3-(methoxycarbonylamino)phenyl]carbamate
ZINC: ZINC000000476364
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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