SEQ2FUN

BioLiP

PDB CCD ID: WYW
Number of entries in BioLiP: 1
Chemical formula: C12 H16 N3 O3 P S
InChI: InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKey: AMFGTOFWMRQMEM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCO[P](=S)(OCC)Oc1ncn(n1)c2ccccc2
ACDLabs 12.01CCOP(=S)(OCC)Oc1ncn(n1)c1ccccc1
OpenEye OEToolkits 2.0.7CCOP(=S)(OCC)Oc1ncn(n1)c2ccccc2
Name:triazophos;
O,O-diethyl O-(1-phenyl-1H-1,2,4-triazol-3-yl) phosphorothioate
ChEMBL: CHEMBL1553726
ZINC: ZINC000002014879
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).