SEQ2FUN

BioLiP

PDB CCD ID: R3W
Number of entries in BioLiP: 4
Chemical formula: C2 H3 Cl O2
InChI: InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)
InChIKey: FOCAUTSVDIKZOP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01ClCC(=O)O
OpenEye OEToolkits 1.7.0C(C(=O)O)Cl
CACTVS 3.370OC(=O)CCl
Name:chloroacetic acid
ChEMBL: CHEMBL14090
ZINC: ZINC000003860254
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).