SEQ2FUN

BioLiP

PDB CCD ID: UQS
Number of entries in BioLiP: 6
Chemical formula: C10 H10 F N3
InChI: InChI=1S/C10H10FN3/c11-10-4-2-1-3-8(10)5-12-9-6-13-14-7-9/h1-4,6-7,12H,5H2,(H,13,14)
InChIKey: PDSIYANAENEXNZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(c(c1)CNc2c[nH]nc2)F
ACDLabs 12.01n2ncc(NCc1ccccc1F)c2
CACTVS 3.385Fc1ccccc1CNc2c[nH]nc2
Name:N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine
ZINC: ZINC000035763759
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).