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BioLiP

PDB CCD ID: OLU
Number of entries in BioLiP: 1
Chemical formula: C10 H6 N2 O2 S2
InChI: InChI=1S/C10H6N2O2S2/c13-5-1-2-6-7(3-5)16-10(11-6)9-12-8(14)4-15-9/h1-3,13H,4H2
InChIKey: JJVOROULKOMTKG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(cc1O)sc(n2)C3=NC(=O)CS3
CACTVS 3.341Oc1ccc2nc(sc2c1)C3=NC(=O)CS3
ACDLabs 10.04O=C1N=C(SC1)c2sc3c(n2)ccc(O)c3
Name:2-(6-HYDROXY-1,3-BENZOTHIAZOL-2-YL)-1,3-THIAZOL-4(5H)-ONE;
OXYLUCIFERIN
DrugBank: DB08326
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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