SEQ2FUN

BioLiP

PDB CCD ID: C0Y
Number of entries in BioLiP: 1
Chemical formula: C15 H21 N O3
InChI: InChI=1S/C15H21NO3/c1-15(2,3)12-10-11(4-5-13(12)17)14(18)16-6-8-19-9-7-16/h4-5,10,17H,6-9H2,1-3H3
InChIKey: KPZLYGXXDVGCGM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(c1ccc(O)c(c1)C(C)(C)C)N2CCOCC2
CACTVS 3.352
OpenEye OEToolkits 1.6.1		CC(C)(C)c1cc(ccc1O)C(=O)N2CCOCC2
Name:(3-TERT-BUTYL-4-HYDROXYPHENYL)MORPHOLIN-4-YL-METHANONE
ChEMBL: CHEMBL1231552
ZINC: ZINC000058631417
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).