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BioLiP

PDB CCD ID: 2PK
Number of entries in BioLiP: 2
Chemical formula: C10 H8 N2 O2 S
InChI: InChI=1S/C10H8N2O2S/c11-10-12-9(14)8(15-10)5-6-1-3-7(13)4-2-6/h1-5,13H,(H2,11,12,14)/b8-5+
InChIKey: YBHQCJILTOVLHD-VMPITWQZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C=C2C(=O)NC(=N)S2)O
CACTVS 3.385Oc1ccc(cc1)C=C2SC(=N)NC2=O
OpenEye OEToolkits 2.0.7[H]/N=C\1/NC(=O)/C(=C\c2ccc(cc2)O)/S1
CACTVS 3.385Oc1ccc(cc1)\C=C/2SC(=N)NC/2=O
Name:(5~{E})-2-azanylidene-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
ZINC: ZINC000004473160
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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