SEQ2FUN

BioLiP

PDB CCD ID: B0G
Number of entries in BioLiP: 2
Chemical formula: C13 H17 N O3
InChI: InChI=1S/C13H17NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2
InChIKey: JKIUUDJOCYHIGY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)COC(=O)N2CCC(CC2)O
CACTVS 3.385OC1CCN(CC1)C(=O)OCc2ccccc2
Name:(phenylmethyl) 4-oxidanylpiperidine-1-carboxylate
ZINC: ZINC000000161960
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).