SEQ2FUN

BioLiP

PDB CCD ID: DCO
Number of entries in BioLiP: 1
Chemical formula: C4 H5 Cl2 O5 P
InChI: InChI=1S/C4H5Cl2O5P/c5-3(6)2(4(7)8)1-12(9,10)11/h1H2,(H,7,8)(H2,9,10,11)
InChIKey: IBGSKYLUHGAGLB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)\C(=C(/Cl)Cl)CP(=O)(O)O
CACTVS 3.341OC(=O)C(C[P](O)(O)=O)=C(Cl)Cl
OpenEye OEToolkits 1.5.0C(C(=C(Cl)Cl)C(=O)O)P(=O)(O)O
Name:3,3-DICHLORO-2-PHOSPHONOMETHYL-ACRYLIC ACID
DrugBank: DB04317
ZINC: ZINC000001625170
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).