SEQ2FUN

BioLiP

PDB CCD ID: GVY
Number of entries in BioLiP: 5
Chemical formula: C8 H7 N3 O S
InChI: InChI=1S/C8H7N3OS/c9-8-11-10-7(13-8)5-1-3-6(12)4-2-5/h1-4,12H,(H2,9,11)
InChIKey: ZLHDTOUWXDZDGO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1sc(nn1)c2ccc(O)cc2
ACDLabs 12.01n2c(c1ccc(cc1)O)sc(N)n2
OpenEye OEToolkits 2.0.6c1cc(ccc1c2nnc(s2)N)O
Name:4-(5-amino-1,3,4-thiadiazol-2-yl)phenol
ChEMBL: CHEMBL4471826
ZINC: ZINC000000530971
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).