SEQ2FUN

BioLiP

PDB CCD ID: UWV
Number of entries in BioLiP: 3
Chemical formula: C10 H10 F N3
InChI: InChI=1S/C10H10FN3/c11-9-3-1-2-4-10(9)12-7-8-5-6-13-14-8/h1-6,12H,7H2,(H,13,14)
InChIKey: IREDHAFKGFKXRR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2nc(CNc1ccccc1F)cc2
OpenEye OEToolkits 2.0.7c1ccc(c(c1)NCc2cc[nH]n2)F
CACTVS 3.385Fc1ccccc1NCc2cc[nH]n2
Name:2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline
ZINC: ZINC000020350772
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).