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BioLiP

PDB CCD ID: IBO
Number of entries in BioLiP: 2
Chemical formula: C4 H9 N O
InChI: InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)
InChIKey: WFKAJVHLWXSISD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(N)C(C)C
OpenEye OEToolkits 1.5.0CC(C)C(=O)N
CACTVS 3.341CC(C)C(N)=O
Name:2-METHYLPROPANAMIDE
ChEMBL: CHEMBL352219
DrugBank: DB17705
ZINC: ZINC000001484944
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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