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BioLiP

PDB CCD ID: LCU
Number of entries in BioLiP: 1
Chemical formula: C14 H18 N2 O
InChI: InChI=1S/C14H18N2O/c1-9-2-3-15-8-13(9)16-14(17)6-10-4-11-7-12(11)5-10/h2-3,8,10-12H,4-7H2,1H3,(H,16,17)/t10-,11+,12-
InChIKey: WEHZCBNACMTKKE-ZSBIGDGJSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccncc1NC(=O)CC2CC3CC3C2
CACTVS 3.385Cc1ccncc1NC(=O)CC2C[C@@H]3C[C@@H]3C2
CACTVS 3.385Cc1ccncc1NC(=O)CC2C[CH]3C[CH]3C2
OpenEye OEToolkits 2.0.7Cc1ccncc1NC(=O)CC2C[C@H]3C[C@H]3C2
ACDLabs 12.01O=C(Nc1cnccc1C)CC1CC2CC2C1
Name:2-[(1R,3s,5S)-bicyclo[3.1.0]hexan-3-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)(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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