SEQ2FUN

BioLiP

PDB CCD ID: NIX
Number of entries in BioLiP: 0
Chemical formula: C12 H12 N2 O3
InChI: InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)
InChIKey: MHWLWQUZZRMNGJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCN1C=C(C(O)=O)C(=O)c2ccc(C)nc12
OpenEye OEToolkits 1.5.0CCN1C=C(C(=O)c2c1nc(cc2)C)C(=O)O
ACDLabs 10.04O=C2c1c(nc(cc1)C)N(C=C2C(=O)O)CC
Name:NALIDIXIC ACID
ChEMBL: CHEMBL5
DrugBank: DB00779
ZINC: ZINC000000057421
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).