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BioLiP

PDB CCD ID: LWA
Number of entries in BioLiP: 7
Chemical formula: C12 H14 N2 O3
InChI: InChI=1S/C12H14N2O3/c13-11(15)8-3-5-9(6-4-8)14-12(16)10-2-1-7-17-10/h3-6,10H,1-2,7H2,(H2,13,15)(H,14,16)/t10-/m0/s1
InChIKey: FSZYBIFIACXSAG-JTQLQIEISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1C(=O)N)NC(=O)C2CCCO2
CACTVS 3.385NC(=O)c1ccc(NC(=O)[C@@H]2CCCO2)cc1
OpenEye OEToolkits 2.0.6c1cc(ccc1C(=O)N)NC(=O)[C@@H]2CCCO2
CACTVS 3.385NC(=O)c1ccc(NC(=O)[CH]2CCCO2)cc1
Name:(2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide
ZINC: ZINC000000804618
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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