SEQ2FUN

BioLiP

PDB CCD ID: 2ZT
Number of entries in BioLiP: 1
Chemical formula: C19 H14 N2 O
InChI: InChI=1S/C19H14N2O/c1-2-6-18-14(4-1)7-9-16(21-18)13-22-17-10-8-15-5-3-11-20-19(15)12-17/h1-12H,13H2
InChIKey: XVPLFTQUQMWPKC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)ccc(n2)COc3ccc4cccnc4c3
CACTVS 3.385C(Oc1ccc2cccnc2c1)c3ccc4ccccc4n3
ACDLabs 12.01n4c3cc(OCc1nc2ccccc2cc1)ccc3ccc4
Name:2-[(quinolin-7-yloxy)methyl]quinoline
ChEMBL: CHEMBL4583461
ZINC: ZINC000098208363
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).