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BioLiP

PDB CCD ID: LJO
Number of entries in BioLiP: 1
Chemical formula: C12 H13 N3 O2
InChI: InChI=1S/C12H13N3O2/c1-9-2-4-14-6-10(9)15-11(16)12(7-13)3-5-17-8-12/h2,4,6H,3,5,8H2,1H3,(H,15,16)/t12-/m1/s1
InChIKey: UDNOYHYGEXMWIJ-GFCCVEGCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccncc1NC(=O)C2(CCOC2)C#N
CACTVS 3.385
OpenEye OEToolkits 2.0.7		Cc1ccncc1NC(=O)[C@]2(CCOC2)C#N
ACDLabs 12.01N#CC1(CCOC1)C(=O)Nc1cnccc1C
CACTVS 3.385Cc1ccncc1NC(=O)[C]2(CCOC2)C#N
Name:(3R)-3-cyano-N-(4-methylpyridin-3-yl)oxolane-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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