SEQ2FUN

BioLiP

PDB CCD ID: 3VW
Number of entries in BioLiP: 2
Chemical formula: C12 H15 N O
InChI: InChI=1S/C12H15NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-5,11,13H,6-9H2
InChIKey: DDRCHUGHUHZNKZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(c1ccccc1)C2CCNCC2
CACTVS 3.385O=C(C1CCNCC1)c2ccccc2
OpenEye OEToolkits 1.9.2c1ccc(cc1)C(=O)C2CCNCC2
Name:phenyl(piperidin-4-yl)methanone
ChEMBL: CHEMBL344115
ZINC: ZINC000004695353
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).