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BioLiP Library

PDB CCD ID: 8D8
Number of entries in BioLiP: 1
Chemical formula: C11 H14 N2 O2
InChI: InChI=1S/C11H14N2O2/c1-7(8-4-5-8)13-11(15)9-3-2-6-12-10(9)14/h2-3,6-9H,4-5H2,1H3,(H,13,15)/t7-,9?/m1/s1
InChIKey: PGQRHRREOJGSGD-YOXFSPIKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C1CC1)NC(=O)C2C=CC=NC2=O
OpenEye OEToolkits 2.0.7C[C@H](C1CC1)NC(=O)C2C=CC=NC2=O
CACTVS 3.385C[CH](NC(=O)[CH]1C=CC=NC1=O)C2CC2
ACDLabs 12.01O=C(NC(C)C1CC1)C1C=CC=NC1=O
CACTVS 3.385C[C@@H](NC(=O)[C@@H]1C=CC=NC1=O)C2CC2
Name:(3S)-N-[(1R)-1-cyclopropylethyl]-2-oxo-2,3-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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