SEQ2FUN

BioLiP

PDB CCD ID: WJ4
Number of entries in BioLiP: 3
Chemical formula: C7 H10 Cl N3 O S
InChI: InChI=1S/C7H10ClN3OS/c8-7-6(9-10-13-7)5-11-1-3-12-4-2-11/h1-5H2
InChIKey: PTFMLOCDFPJQDW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1COCCN1Cc2c(snn2)Cl
ACDLabs 12.01n1c(c(Cl)sn1)CN2CCOCC2
CACTVS 3.385Clc1snnc1CN2CCOCC2
Name:4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine
ZINC: ZINC000020223865
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).