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BioLiP

PDB CCD ID: 4BG
Number of entries in BioLiP: 1
Chemical formula: C15 H16 N2 O2
InChI: InChI=1S/C15H16N2O2/c16-10-15(18)17-13-6-8-14(9-7-13)19-11-12-4-2-1-3-5-12/h1-9H,10-11,16H2,(H,17,18)
InChIKey: YJPUATSIKWOSST-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(Nc2ccc(OCc1ccccc1)cc2)CN
CACTVS 3.341NCC(=O)Nc1ccc(OCc2ccccc2)cc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)COc2ccc(cc2)NC(=O)CN
Name:N-[4-(benzyloxy)phenyl]glycinamide;
2-amino-N-[4-(phenylmethoxy)phenyl]-acetamide
ChEMBL: CHEMBL479960
DrugBank: DB07099
ZINC: ZINC000011957004
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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