SEQ2FUN

BioLiP

PDB CCD ID: VBT
Number of entries in BioLiP: 1
Chemical formula: C6 H2 Cl2 F N O2
InChI: InChI=1S/C6H2Cl2FNO2/c7-4-2(6(11)12)1-3(9)5(8)10-4/h1H,(H,11,12)
InChIKey: LTDGKGCHRNNCAC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1cc(F)c(Cl)nc1Cl
OpenEye OEToolkits 2.0.7c1c(c(nc(c1F)Cl)Cl)C(=O)O
Name:2,6-bis(chloranyl)-5-fluoranyl-pyridine-3-carboxylic acid
ChEMBL: CHEMBL5220253
ZINC: ZINC000000403189
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).