SEQ2FUN

BioLiP

PDB CCD ID: 4Z4
Number of entries in BioLiP: 1
Chemical formula: C7 H3 Cl2 F O2
InChI: InChI=1S/C7H3Cl2FO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,(H,11,12)
InChIKey: KZCWJHUTTSVCRO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1c(c(cc(c1F)Cl)Cl)C(=O)O
ACDLabs 12.01c1c(c(C(=O)O)cc(c1Cl)F)Cl
CACTVS 3.385OC(=O)c1cc(F)c(Cl)cc1Cl
Name:2,4-dichloro-5-fluorobenzoic acid
ZINC: ZINC000000056742
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).