SEQ2FUN

BioLiP

PDB CCD ID: RM0
Number of entries in BioLiP: 2
Chemical formula: C15 H23 N3 O3
InChI: InChI=1S/C15H23N3O3/c19-15-6-5-13(17-14(15)12-16-20)4-2-1-3-7-18-8-10-21-11-9-18/h5-6,12,19-20H,1-4,7-11H2/b16-12+
InChIKey: DHXJJCCCAIXLRS-FOWTUZBSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(nc1CCCCCN2CCOCC2)C=NO)O
CACTVS 3.385O\N=C\c1nc(CCCCCN2CCOCC2)ccc1O
OpenEye OEToolkits 2.0.6c1cc(c(nc1CCCCCN2CCOCC2)/C=N/O)O
CACTVS 3.385ON=Cc1nc(CCCCCN2CCOCC2)ccc1O
Name:2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol

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).