SEQ2FUN

BioLiP

PDB CCD ID: 83I
Number of entries in BioLiP: 4
Chemical formula: C6 H9 Cl O3
InChI: InChI=1S/C6H9ClO3/c1-2-10-6(9)3-5(8)4-7/h2-4H2,1H3
InChIKey: OHLRLMWUFVDREV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCOC(=O)CC(=O)CCl
Name:ethyl 4-chloranyl-3-oxidanylidene-butanoate
ChEMBL: CHEMBL3187729
ZINC: ZINC000001845882
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).