SEQ2FUN

BioLiP

PDB CCD ID: O0M
Number of entries in BioLiP: 3
Chemical formula: C15 H23 N O
InChI: InChI=1S/C15H23NO/c1-12(2)14-5-3-13(4-6-14)11-16-9-7-15(17)8-10-16/h3-6,12,15,17H,7-11H2,1-2H3
InChIKey: CFAILTWQQPILFW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)c1ccc(CN2CCC(O)CC2)cc1
ACDLabs 12.01c1c(C(C)C)ccc(c1)CN2CCC(O)CC2
OpenEye OEToolkits 2.0.6CC(C)c1ccc(cc1)CN2CCC(CC2)O
Name:1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol
ZINC: ZINC000000239622
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).