SEQ2FUN

BioLiP

PDB CCD ID: H3G
Number of entries in BioLiP: 1
Chemical formula: C16 H23 N O
InChI: InChI=1S/C16H23NO/c1-16(2,3)14-9-11-17(12-10-14)15(18)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
InChIKey: UVPFTRNYXLMKBI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N1(CCC(CC1)C(C)(C)C)C(=O)c2ccccc2
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CC(C)(C)C1CCN(CC1)C(=O)c2ccccc2
Name:(4-tert-butylpiperidin-1-yl)(phenyl)methanone
ChEMBL: CHEMBL1978385
ZINC: ZINC000000346025
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).