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BioLiP

PDB CCD ID: LQV
Number of entries in BioLiP: 2
Chemical formula: C11 H14 N2 O2
InChI: InChI=1S/C11H14N2O2/c1-8-4-5-10(12-7-8)13-11(14)9-3-2-6-15-9/h4-5,7,9H,2-3,6H2,1H3,(H,12,13,14)/t9-/m0/s1
InChIKey: BFRXGCPOQMOBHK-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(nc1)NC(=O)[C@@H]2CCCO2
ACDLabs 12.01O=C(Nc1ccc(C)cn1)C1CCCO1
CACTVS 3.385Cc1ccc(NC(=O)[C@@H]2CCCO2)nc1
CACTVS 3.385Cc1ccc(NC(=O)[CH]2CCCO2)nc1
OpenEye OEToolkits 2.0.7Cc1ccc(nc1)NC(=O)C2CCCO2
Name:(2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide
ZINC: ZINC000004750341
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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