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BioLiP

PDB CCD ID: K9N
Number of entries in BioLiP: 1
Chemical formula: C10 H14 N2 O S
InChI: InChI=1S/C10H14N2OS/c1-7-6-14-9(12-7)5-11-10(13)8-3-2-4-8/h6,8H,2-5H2,1H3,(H,11,13)
InChIKey: YMWFZAPJPMKMSQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1csc(n1)CNC(=O)C2CCC2
CACTVS 3.385Cc1csc(CNC(=O)C2CCC2)n1
ACDLabs 12.01O=C(NCc1nc(C)cs1)C1CCC1
Name:N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutanecarboxamide
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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