SEQ2FUN

BioLiP

PDB CCD ID: 9TW
Number of entries in BioLiP: 2
Chemical formula: C7 H5 Cl F N O
InChI: InChI=1S/C7H5ClFNO/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)
InChIKey: AEYMQEMBMKCNEG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(cc1C(=O)N)Cl)F
CACTVS 3.385NC(=O)c1ccc(F)c(Cl)c1
Name:3-chloranyl-4-fluoranyl-benzamide
ChEMBL: CHEMBL4074617
ZINC: ZINC000000152711
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).