SEQ2FUN

BioLiP

PDB CCD ID: DBA
Number of entries in BioLiP: 0
Chemical formula: C10 H12 O3
InChI: InChI=1S/C10H12O3/c1-7-4-3-5-8(2)10(7)13-6-9(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChIKey: MLBCURLNKYKBEQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cccc(c1OCC(=O)O)C
CACTVS 3.341Cc1cccc(C)c1OCC(O)=O
ACDLabs 10.04O=C(O)COc1c(cccc1C)C
Name:(2,6-DIMETHYL-PHENOXY)-ACETIC ACID
DrugBank: DB07634
ZINC: ZINC000000120508
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).