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BioLiP

PDB CCD ID: L7F
Number of entries in BioLiP: 1
Chemical formula: C14 H18 N2 O
InChI: InChI=1S/C14H18N2O/c1-10-4-6-15-9-12(10)16-13(17)8-14-5-2-3-11(14)7-14/h4,6,9,11H,2-3,5,7-8H2,1H3,(H,16,17)/t11-,14+/m1/s1
InChIKey: ZVPGUVBZPWGJPX-RISCZKNCSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(Nc1cnccc1C)CC12CC2CCC1
CACTVS 3.385
OpenEye OEToolkits 2.0.7		Cc1ccncc1NC(=O)C[C@@]23CCC[C@@H]2C3
OpenEye OEToolkits 2.0.7Cc1ccncc1NC(=O)CC23CCCC2C3
CACTVS 3.385Cc1ccncc1NC(=O)C[C]23CCC[CH]2C3
Name:2-[(1S,5R)-bicyclo[3.1.0]hexan-1-yl]-N-(4-methylpyridin-3-yl)acetamide
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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