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BioLiP

PDB CCD ID: 77L
Number of entries in BioLiP: 1
Chemical formula: C15 H14 F N O4
InChI: InChI=1S/C15H14FNO4/c16-11-3-1-9(2-4-11)10-7-12(14(20)13(19)8-10)15(21)17-5-6-18/h1-4,7-8,18-20H,5-6H2,(H,17,21)
InChIKey: ASGZSLFHJDBZNV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCCNC(=O)c1cc(cc(O)c1O)c2ccc(F)cc2
OpenEye OEToolkits 1.7.6c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCO)F
ACDLabs 12.01c2c(c1ccc(F)cc1)cc(c(c2C(=O)NCCO)O)O
Name:5-(4-fluorophenyl)-2,3-dihydroxy-N-(2-hydroxyethyl)benzamide
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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