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BioLiP

PDB CCD ID: SCL
Number of entries in BioLiP: 1
Chemical formula: C9 H9 N O4
InChI: InChI=1S/C9H9NO4/c1-6(11)14-10-9(13)7-4-2-3-5-8(7)12/h2-5,12H,1H3,(H,10,13)
InChIKey: PCFWLDHLJWUGSU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC(=O)ONC(=O)c1ccccc1O
ACDLabs 10.04O=C(c1ccccc1O)NOC(=O)C
Name:ACETIC ACID SALICYLOYL-AMINO-ESTER
DrugBank: DB03667
ZINC: ZINC000002046853
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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