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BioLiP

PDB CCD ID: SLV
Number of entries in BioLiP: 1
Chemical formula: C11 H15 N O2
InChI: InChI=1S/C11H15NO2/c1-3-4-9-5-6-10(7-11(9)14)12-8(2)13/h5-7,14H,3-4H2,1-2H3,(H,12,13)
InChIKey: WEIMMECSAQVSGO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCc1ccc(cc1O)NC(=O)C
CACTVS 3.385CCCc1ccc(NC(C)=O)cc1O
Name:~{N}-(3-oxidanyl-4-propyl-phenyl)ethanamide
ZINC: ZINC000000157766
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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