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BioLiP Library

PDB CCD ID: AJJ
Number of entries in BioLiP: 2
Chemical formula: C14 H17 N3 O2
InChI: InChI=1S/C14H17N3O2/c1-17-8-6-10(7-9-17)13-15-14(19-16-13)11-2-4-12(18)5-3-11/h2-5,10,18H,6-9H2,1H3
InChIKey: BGJREFNVLIBEOU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CN1CCC(CC1)c2nc(on2)c3ccc(cc3)O
ACDLabs 12.01C1CN(C)CCC1c2noc(n2)c3ccc(cc3)O
CACTVS 3.385CN1CCC(CC1)c2noc(n2)c3ccc(O)cc3
Name:4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
ChEMBL: CHEMBL4069137
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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