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BioLiP

PDB CCD ID: J70
Number of entries in BioLiP: 0
Chemical formula: C24 H24 N6 O4 Pt
InChI: InChI=1S/C20H11N3O4.C4H13N3.Pt/c24-17-11-1-3-13-16-14(4-2-12(15(11)16)18(25)22-17)20(27)23(19(13)26)9-10-5-7-21-8-6-10;5-1-3-7-4-2-6;/h1-8H,9H2,(H,22,24,25);7H,1-6H2;
InChIKey: RHZLCJDDMRMAMB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c3c(ccc4c3c1C(=O)NC4=O)C(=O)N(C2=O)CC5=CC=[N](C=C5)[Pt]67[NH2]CC[NH]6CC[NH2]7
CACTVS 3.385[Pt].NCCNCCN.O=C1NC(=O)c2ccc3C(=O)N(Cc4ccncc4)C(=O)c5ccc1c2c35
Name:Pt(diethylenetriamine)(2-(pyridin-4-ylmethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone)
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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