SEQ2FUN

BioLiP

PDB CCD ID: 6X7
Number of entries in BioLiP: 0
Chemical formula: C8 H8 O4
InChI: InChI=1S/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12)
InChIKey: AMKYESDOVDKZKV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cc(O)cc(O)c1C(O)=O
OpenEye OEToolkits 2.0.5Cc1cc(cc(c1C(=O)O)O)O
Name:2,4-dihydroxy-6-methyl Benzoic acid
ChEMBL: CHEMBL457583
ZINC: ZINC000000901157
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).