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BioLiP

PDB CCD ID: OXI
Number of entries in BioLiP: 0
Chemical formula: C13 H11 N O5
InChI: InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)
InChIKey: KYGZCKSPAKDVKC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCN1C=C(C(=O)c2c1cc3c(c2)OCO3)C(=O)O
ACDLabs 10.04O=C1c3c(N(C=C1C(=O)O)CC)cc2OCOc2c3
CACTVS 3.341CCN1C=C(C(O)=O)C(=O)c2cc3OCOc3cc12
Name:OXOLINIC ACID
ChEMBL: CHEMBL416755
DrugBank: DB13627
ZINC: ZINC000000001875
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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