SEQ2FUN

BioLiP

PDB CCD ID: I7S
Number of entries in BioLiP: 3
Chemical formula: C8 H7 N O4
InChI: InChI=1S/C8H7NO4/c1-4-2-3-5(7(10)11)6(9-4)8(12)13/h2-3H,1H3,(H,10,11)(H,12,13)
InChIKey: PHQBKLKZIXCRIX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(c(n1)C(=O)O)C(=O)O
CACTVS 3.385Cc1ccc(C(O)=O)c(n1)C(O)=O
Name:6-methylpyridine-2,3-dicarboxylic acid
ChEMBL: CHEMBL1650604
ZINC: ZINC000000389639
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).