SEQ2FUN

BioLiP

PDB CCD ID: WBY
Number of entries in BioLiP: 7
Chemical formula: C6 H5 N3 O3 S
InChI: InChI=1S/C6H5N3O3S/c1-2-7-4-3(13-2)5(10)9(12)6(11)8-4/h12H,1H3,(H,8,11)
InChIKey: MYPICMPDMGFOBX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1nc2c(s1)C(=O)N(C(=O)N2)O
ACDLabs 12.01Cc2nc1c(C(N(C(N1)=O)O)=O)s2
CACTVS 3.385Cc1sc2C(=O)N(O)C(=O)Nc2n1
Name:6-hydroxy-2-methyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
ChEMBL: CHEMBL1722016
ZINC: ZINC000001705838
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).