SEQ2FUN

BioLiP

PDB CCD ID: N8R
Number of entries in BioLiP: 8
Chemical formula: C18 H27 N O2
InChI: InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3
InChIKey: BZEWSEKUUPWQDQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCCCOc1ccc(cc1)C(=O)CCN2CCCCC2
ACDLabs 12.01CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1
Name:Dyclonine;
1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one
ChEMBL: CHEMBL1201217
DrugBank: DB00645
ZINC: ZINC000001530940
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).