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BioLiP

PDB CCD ID: NY1
Number of entries in BioLiP: 1
Chemical formula: C10 H14 N2 O2 S
InChI: InChI=1S/C10H14N2O2S/c1-8-11-9(7-15-8)6-10(13)12-2-4-14-5-3-12/h7H,2-6H2,1H3
InChIKey: ZGUYZZRXRYNXNN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1scc(CC(=O)N2CCOCC2)n1
ACDLabs 12.01n2c(CC(N1CCOCC1)=O)csc2C
OpenEye OEToolkits 2.0.6Cc1nc(cs1)CC(=O)N2CCOCC2
Name:2-(2-methyl-1,3-thiazol-4-yl)-1-(morpholin-4-yl)ethan-1-one
ZINC: ZINC000048326014
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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