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BioLiP

PDB CCD ID: LK9
Number of entries in BioLiP: 2
Chemical formula: C19 H15 N3 O
InChI: InChI=1S/C19H15N3O/c20-19-17(10-12-4-2-1-3-5-12)21-18-15-8-7-14(23)11-13(15)6-9-16(18)22-19/h1-9,11,23H,10H2,(H2,20,22)
InChIKey: FZAJVBZJLFLZOR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)Cc2c(nc3ccc4cc(ccc4c3n2)O)N
CACTVS 3.385Nc1nc2ccc3cc(O)ccc3c2nc1Cc4ccccc4
Name:3-azanyl-2-(phenylmethyl)benzo[f]quinoxalin-8-ol
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)(download the PDF file).
  • 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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