SEQ2FUN

BioLiP

PDB CCD ID: K0L
Number of entries in BioLiP: 0
Chemical formula: C10 H13 N O3
InChI: InChI=1S/C10H13NO3/c1-6-3-8(11)4-7(2)10(6)14-5-9(12)13/h3-4H,5,11H2,1-2H3,(H,12,13)
InChIKey: VBBVKAACCNVDOH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0Cc1cc(cc(c1OCC(=O)O)C)N
CACTVS 3.370Cc1cc(N)cc(C)c1OCC(O)=O
ACDLabs 12.01O=C(O)COc1c(cc(cc1C)N)C
Name:(4-amino-2,6-dimethylphenoxy)acetic acid
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).