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BioLiP Library

PDB CCD ID: VY6
Number of entries in BioLiP: 1
Chemical formula: C10 H13 N O4
InChI: InChI=1S/C10H13NO4/c12-10(13)8-1-4-15-9(8)7-11-2-5-14-6-3-11/h1,4H,2-3,5-7H2,(H,12,13)
InChIKey: WSBKJYRHFNGTRA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccoc1CN2CCOCC2
OpenEye OEToolkits 2.0.7c1coc(c1C(=O)O)CN2CCOCC2
ACDLabs 12.01O=C(O)c1ccoc1CN1CCOCC1
Name:2-[(morpholin-4-yl)methyl]furan-3-carboxylic acid
ZINC: ZINC000000316337
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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