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BioLiP

PDB CCD ID: I8D
Number of entries in BioLiP: 3
Chemical formula: C11 H12 Cl N O S
InChI: InChI=1S/C11H12ClNOS/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2
InChIKey: PIZZAODWSORPSH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)N2CCSCC2)Cl
CACTVS 3.385Clc1ccc(cc1)C(=O)N2CCSCC2
ACDLabs 12.01O=C(c1ccc(Cl)cc1)N1CCSCC1
Name:(4-chlorophenyl)(thiomorpholin-4-yl)methanone
ChEMBL: CHEMBL1301837
ZINC: ZINC000000140258
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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