SEQ2FUN

BioLiP

PDB CCD ID: JM3
Number of entries in BioLiP: 2
Chemical formula: C14 H16 N2 O2
InChI: InChI=1S/C14H16N2O2/c17-13-4-3-11(10-16-6-8-18-9-7-16)12-2-1-5-15-14(12)13/h1-5,17H,6-10H2
InChIKey: AKUILKRKGZEPQD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(CN2CCOCC2)c3cccnc13
OpenEye OEToolkits 2.0.7c1cc2c(ccc(c2nc1)O)CN3CCOCC3
Name:5-(morpholin-4-ylmethyl)quinolin-8-ol
ChEMBL: CHEMBL5194581
ZINC: ZINC000019346414
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).