SEQ2FUN

BioLiP

PDB CCD ID: 4MX
Number of entries in BioLiP: 3
Chemical formula: C12 H16 O4
InChI: InChI=1S/C12H16O4/c1-2-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16/h6-7,13-14H,2-5H2,1H3,(H,15,16)
InChIKey: SXFKFRRXJUJGSS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4CCCCCc1cc(cc(c1C(=O)O)O)O
CACTVS 3.385CCCCCc1cc(O)cc(O)c1C(O)=O
Name:2,4-bis(oxidanyl)-6-pentyl-benzoic acid
ChEMBL: CHEMBL3134414
ZINC: ZINC000013339595
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).