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BioLiP Library

PDB CCD ID: WQM
Number of entries in BioLiP: 1
Chemical formula: C7 H8 N2 O2
InChI: InChI=1S/C7H8N2O2/c1-8-7(11)5-2-3-6(10)9-4-5/h2-5H,1H3,(H,8,11)/t5-/m0/s1
InChIKey: VENCKILMSBWPLT-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNC(=O)C1C=CC(=O)N=C1
CACTVS 3.385CNC(=O)[C@H]1C=CC(=O)N=C1
ACDLabs 12.01N(C)C(=O)C1C=CC(N=C1)=O
CACTVS 3.385CNC(=O)[CH]1C=CC(=O)N=C1
Name:(3S)-N-methyl-6-oxo-3,6-dihydropyridine-3-carboxamide
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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