SEQ2FUN

BioLiP

PDB CCD ID: J5C
Number of entries in BioLiP: 2
Chemical formula: C16 H24 N2 O
InChI: InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
InChIKey: WYWIFABBXFUGLM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cc(c(O)c(C)c1CC2=NCCN2)C(C)(C)C
OpenEye OEToolkits 2.0.7Cc1cc(c(c(c1CC2=NCCN2)C)O)C(C)(C)C
Name:Oxymetazoline
ChEMBL: CHEMBL762
DrugBank: DB00935
ZINC: ZINC000000057435
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).