SEQ2FUN

BioLiP

PDB CCD ID: UVS
Number of entries in BioLiP: 7
Chemical formula: C4 H7 N3 O S
InChI: InChI=1S/C4H7N3OS/c1-8-2-3-6-7-4(5)9-3/h2H2,1H3,(H2,5,7)
InChIKey: ZLDOCTTXAVVDHG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COCc1nnc(s1)N
ACDLabs 12.01n1nc(COC)sc1N
CACTVS 3.385COCc1sc(N)nn1
Name:5-(methoxymethyl)-1,3,4-thiadiazol-2-amine
ChEMBL: CHEMBL1430496
ZINC: ZINC000001076074
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).