SEQ2FUN

BioLiP

PDB CCD ID: GB9
Number of entries in BioLiP: 8
Chemical formula: C12 H8 Cl F N2 O
InChI: InChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17)
InChIKey: URPKVELJRWKNQS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1ccc(cc1)C(=O)Nc2ccc(Cl)nc2
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)Nc2ccc(nc2)Cl)F
Name:N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide;
ztz240
ChEMBL: CHEMBL1454208
ZINC: ZINC000004106322
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).