SEQ2FUN

BioLiP

PDB CCD ID: TZP
Number of entries in BioLiP: 12
Chemical formula: C6 H10 N O4 P S
InChI: InChI=1S/C6H10NO4PS/c1-5-6(13-4-7-5)2-3-11-12(8,9)10/h4H,2-3H2,1H3,(H2,8,9,10)
InChIKey: OCYMERZCMYJQQO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(scn1)CCOP(=O)(O)O
ACDLabs 10.04O=P(OCCc1scnc1C)(O)O
CACTVS 3.341Cc1ncsc1CCO[P](O)(O)=O
Name:4-METHYL-5-HYDROXYETHYLTHIAZOLE PHOSPHATE
DrugBank: DB03145
ZINC: ZINC000001529922
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).