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BioLiP

PDB CCD ID: 4ZO
Number of entries in BioLiP: 1
Chemical formula: C14 H19 N3 O4
InChI: InChI=1S/C14H19N3O4/c1-3-21-13(19)9-16-14(20)15-8-11-4-6-12(7-5-11)17-10(2)18/h4-7H,3,8-9H2,1-2H3,(H,17,18)(H2,15,16,20)
InChIKey: ZMKOCMUFOUNWFA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(=O)(C)Nc1ccc(cc1)CNC(NCC(=O)OCC)=O
OpenEye OEToolkits 1.9.2CCOC(=O)CNC(=O)NCc1ccc(cc1)NC(=O)C
CACTVS 3.385CCOC(=O)CNC(=O)NCc1ccc(NC(C)=O)cc1
Name:ethyl N-{[4-(acetylamino)benzyl]carbamoyl}glycinate
ChEMBL: CHEMBL3799875
ZINC: ZINC000211364046
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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