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BioLiP

PDB CCD ID: L4N
Number of entries in BioLiP: 1
Chemical formula: C14 H18 N2 O
InChI: InChI=1S/C14H18N2O/c1-10-3-7-15-9-12(10)16-13(17)11-2-4-14(8-11)5-6-14/h3,7,9,11H,2,4-6,8H2,1H3,(H,16,17)/t11-/m1/s1
InChIKey: FNCISWRYQRGLKF-LLVKDONJSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccncc1NC(=O)[CH]2CCC3(CC3)C2
ACDLabs 12.01O=C(Nc1cnccc1C)C1CCC2(CC2)C1
OpenEye OEToolkits 2.0.7Cc1ccncc1NC(=O)[C@@H]2CCC3(C2)CC3
CACTVS 3.385Cc1ccncc1NC(=O)[C@@H]2CCC3(CC3)C2
OpenEye OEToolkits 2.0.7Cc1ccncc1NC(=O)C2CCC3(C2)CC3
Name:(5R)-N-(4-methylpyridin-3-yl)spiro[2.4]heptane-5-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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