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BioLiP Library

PDB CCD ID: AUS
Number of entries in BioLiP: 3
Chemical formula: C14 H18 N2 O2
InChI: InChI=1S/C14H18N2O2/c17-13(10-8-14(10)6-3-7-14)15-12-9-4-1-2-5-11(9)18-16-12/h10H,1-8H2,(H,15,16,17)/t10-/m0/s1
InChIKey: LRTIDDCMWUKSQP-JTQLQIEISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CCc2c(c(no2)NC(=O)C3CC34CCC4)C1
OpenEye OEToolkits 2.0.7C1CCc2c(c(no2)NC(=O)[C@@H]3CC34CCC4)C1
CACTVS 3.385O=C(Nc1noc2CCCCc12)[CH]3CC34CCC4
CACTVS 3.385O=C(Nc1noc2CCCCc12)[C@@H]3CC34CCC4
Name:(2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-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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