SEQ2FUN

BioLiP

PDB CCD ID: A4T
Number of entries in BioLiP: 1
Chemical formula: C13 H11 Cl F N
InChI: InChI=1S/C13H11ClFN/c14-12-7-9(8-16)5-6-10(12)11-3-1-2-4-13(11)15/h1-7H,8,16H2
InChIKey: RDVSUVUAPHOYAU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(c(c1)c2ccc(cc2Cl)CN)F
CACTVS 3.385NCc1ccc(c(Cl)c1)c2ccccc2F
Name:[3-chloranyl-4-(2-fluorophenyl)phenyl]methanamine
ChEMBL: CHEMBL4225845
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).