SEQ2FUN

BioLiP

PDB CCD ID: E0O
Number of entries in BioLiP: 5
Chemical formula: C10 H11 Cl O3
InChI: InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
InChIKey: TXCGAZHTZHNUAI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)(C(=O)O)Oc1ccc(cc1)Cl
CACTVS 3.385CC(C)(Oc1ccc(Cl)cc1)C(O)=O
Name:2-(4-chloranylphenoxy)-2-methyl-propanoic acid
ChEMBL: CHEMBL683
ZINC: ZINC000000001187
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).