SEQ2FUN

BioLiP

PDB CCD ID: 0OL
Number of entries in BioLiP: 1
Chemical formula: C12 H15 N O
InChI: InChI=1S/C12H15NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey: YXTROGRGRSPWKL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(c1ccccc1)N2CCCCC2
CACTVS 3.370O=C(N1CCCCC1)c2ccccc2
OpenEye OEToolkits 1.7.6c1ccc(cc1)C(=O)N2CCCCC2
Name:phenyl(piperidin-1-yl)methanone
ChEMBL: CHEMBL1897277
ZINC: ZINC000000142626
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).