SEQ2FUN

BioLiP

PDB CCD ID: A1CV4
Number of entries in BioLiP: 1
Chemical formula: C7 H7 F2 N3 S
InChI: InChI=1S/C7H7F2N3S/c8-4-1-2-6(5(9)3-4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)
InChIKey: RNPFEUCQZZXGCF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52S=C(Nc1ccc(F)cc1F)NN
CACTVS 3.385NNC(=S)Nc1ccc(F)cc1F
OpenEye OEToolkits 3.1.0.0c1cc(c(cc1F)F)NC(=S)NN
Name:N-(2,4-difluorophenyl)hydrazinecarbothioamide
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).