SEQ2FUN

BioLiP

PDB CCD ID: G9G
Number of entries in BioLiP: 2
Chemical formula: C17 H18 N4 O
InChI: InChI=1S/C17H18N4O/c1-20-8-10-21(11-9-20)15-7-6-14-16(19-15)12-4-2-3-5-13(12)17(22)18-14/h2-7H,8-11H2,1H3,(H,18,22)
InChIKey: YRVTWLAUEOBDFG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CN1CCN(CC1)c2ccc3c(n2)-c4ccccc4C(=O)N3
CACTVS 3.352CN1CCN(CC1)c2ccc3NC(=O)c4ccccc4c3n2
Name:2-(4-methylpiperazin-1-yl)benzo[c][1,5]naphthyridin-6(5H)-one
ChEMBL: CHEMBL105995
ZINC: ZINC000003815859
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).