SEQ2FUN

BioLiP

PDB CCD ID: FLM
Number of entries in BioLiP: 1
Chemical formula: C7 H8 F N
InChI: InChI=1S/C7H8FN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3
InChIKey: SLDLVGFPFFLYBM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Cc1c(N)cccc1F
OpenEye OEToolkits 1.5.0Cc1c(cccc1F)N
ACDLabs 10.04Fc1cccc(N)c1C
Name:3-FLUORO-2-METHYL-ANILINE
DrugBank: DB01986
ZINC: ZINC000000407040
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).