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BioLiP

PDB CCD ID: 0IN
Number of entries in BioLiP: 3
Chemical formula: C15 H12 N2 O
InChI: InChI=1S/C15H12N2O/c18-15-13(9-11-3-1-7-16-10-11)6-5-12-4-2-8-17-14(12)15/h1-8,10,18H,9H2
InChIKey: DNRIDZXSDROVMC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352Oc1c(Cc2cccnc2)ccc3cccnc13
ACDLabs 11.02Oc1c(ccc2cccnc12)Cc3cccnc3
OpenEye OEToolkits 1.7.0c1cc2ccc(c(c2nc1)O)Cc3cccnc3
Name:7-(pyridin-3-ylmethyl)quinolin-8-ol
ZINC: ZINC000044713017
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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