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BioLiP

PDB CCD ID: S8P
Number of entries in BioLiP: 1
Chemical formula: C10 H14 N2 O2 S
InChI: InChI=1S/C10H14N2O2S/c1-7-5-9(12-15-7)10(13)11-6-8-3-2-4-14-8/h5,8H,2-4,6H2,1H3,(H,11,13)/t8-/m0/s1
InChIKey: PYHOSVJXCWPVCG-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1cc(ns1)C(=O)NC[C@@H]2CCCO2
CACTVS 3.385Cc1snc(c1)C(=O)NC[CH]2CCCO2
CACTVS 3.385Cc1snc(c1)C(=O)NC[C@@H]2CCCO2
OpenEye OEToolkits 2.0.6Cc1cc(ns1)C(=O)NCC2CCCO2
Name:5-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide
ZINC: ZINC000096782552
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)(download the PDF file).
  • 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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