SEQ2FUN

BioLiP

PDB CCD ID: PQ3
Number of entries in BioLiP: 0
Chemical formula: C34 H26 N6 O2
InChI: InChI=1S/C34H24N6O2/c1-39-19-25(17-23-7-3-5-9-29(23)39)35-33(41)27-15-13-21-11-12-22-14-16-28(38-32(22)31(21)37-27)34(42)36-26-18-24-8-4-6-10-30(24)40(2)20-26/h3-20H,1-2H3/p+2
InChIKey: CTOLNXAGCUTHBW-UHFFFAOYSA-P
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[n+]1cc(cc2c1cccc2)NC(=O)c3ccc4ccc5ccc(nc5c4n3)C(=O)Nc6cc7ccccc7[n+](c6)C
ACDLabs 12.01C[n+]1cc(cc2ccccc21)NC(=O)c1nc2c(cc1)ccc1ccc(nc12)C(=O)Nc1cc2ccccc2[n+](C)c1
CACTVS 3.385C[n+]1cc(NC(=O)c2ccc3ccc4ccc(nc4c3n2)C(=O)Nc5cc6ccccc6[n+](C)c5)cc7ccccc17
Name:N2,N9-bis(1-methylquinolin-3-yl)-1,10-phenanthroline-2,9-dicarboxamide;
Phen-DC3
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).