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BioLiP

PDB CCD ID: UHD
Number of entries in BioLiP: 1
Chemical formula: C18 H25 N O3 S
InChI: InChI=1S/C18H25NO3S/c1-2-3-4-5-6-7-8-9-10-11-13-15(20)14-18(23-12-19-14)17(22)16(13)21/h12,21H,2-11H2,1H3
InChIKey: QCWGBMWYLYKEIU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C2c1scnc1C(=O)C(=C2O)CCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCC1=C(O)C(=O)c2scnc2C1=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCC1=C(C(=O)c2c(ncs2)C1=O)O
Name:6-HYDROXY-5-UNDECYL-1,3-BENZOTHIAZOLE-4,7-DIONE;
3-UNDECYL-2-HYDROXYDIOXOBENZOTHIAZOL;
UHDBT
DrugBank: DB04799
ZINC: ZINC000014881301
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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