SEQ2FUN

BioLiP

PDB CCD ID: ZIN
Number of entries in BioLiP: 3
Chemical formula: C15 H12 N2 O
InChI: InChI=1S/C15H12N2O/c18-15-12(10-13-5-1-2-8-16-13)7-6-11-4-3-9-17-14(11)15/h1-9,18H,10H2
InChIKey: WLWQZKQFQNNCAP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352Oc1c(Cc2ccccn2)ccc3cccnc13
ACDLabs 11.02Oc1c(ccc2cccnc12)Cc3ncccc3
OpenEye OEToolkits 1.7.0c1ccnc(c1)Cc2ccc3cccnc3c2O
Name:7-(pyridin-2-ylmethyl)quinolin-8-ol
ZINC: ZINC000044713556
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).