SEQ2FUN

BioLiP

PDB CCD ID: A5Q
Number of entries in BioLiP: 1
Chemical formula: C9 H6 F3 N3 S
InChI: InChI=1S/C9H6F3N3S/c10-9(11,12)6-3-1-5(2-4-6)7-8(13)16-15-14-7/h1-4H,13H2
InChIKey: URPRRYYGDXSCNR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1c2c(snn2)N)C(F)(F)F
CACTVS 3.385Nc1snnc1c2ccc(cc2)C(F)(F)F
Name:4-[4-(trifluoromethyl)phenyl]-1,2,3-thiadiazol-5-amine
ChEMBL: CHEMBL4570088
ZINC: ZINC000000161940

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).