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BioLiP

PDB CCD ID: NML
Number of entries in BioLiP: 0
Chemical formula: C3 H7 N O
InChI: InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)
InChIKey: OHLUUHNLEMFGTQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(NC)C
OpenEye OEToolkits 1.5.0CC(=O)NC
CACTVS 3.341CNC(C)=O
Name:N-METHYLACETAMIDE
ChEMBL: CHEMBL11544
ZINC: ZINC000001587576
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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