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BioLiP Library

PDB CCD ID: 4ZL
Number of entries in BioLiP: 1
Chemical formula: C12 H16 N2 O3
InChI: InChI=1S/C12H16N2O3/c1-2-17-11(15)9-14-12(16)13-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,13,14,16)
InChIKey: JOGHOEBNQXZSDF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CCOC(=O)CNC(=O)NCc1ccccc1
ACDLabs 12.01c1ccccc1CNC(NCC(=O)OCC)=O
Name:ethyl N-(benzylcarbamoyl)glycinate
ChEMBL: CHEMBL3797675
ZINC: ZINC000001753366
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)(download the PDF file).
  • 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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