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BioLiP

PDB CCD ID: 47K
Number of entries in BioLiP: 2
Chemical formula: C14 H23 N3 O2
InChI: InChI=1S/C14H23N3O2/c1-10(2)12-8-14(19-16-12)15-13(18)9-17-6-4-11(3)5-7-17/h8,10-11H,4-7,9H2,1-3H3,(H,15,18)
InChIKey: RUCYUQYOHAXRGD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC1CCN(CC1)CC(=O)Nc2onc(c2)C(C)C
OpenEye OEToolkits 1.9.2CC1CCN(CC1)CC(=O)Nc2cc(no2)C(C)C
ACDLabs 12.01O=C(Nc1onc(c1)C(C)C)CN2CCC(C)CC2
Name:2-(4-methylpiperidin-1-yl)-N-[3-(propan-2-yl)-1,2-oxazol-5-yl]acetamide
ZINC: ZINC000009450783
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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