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BioLiP

PDB CCD ID: P9G
Number of entries in BioLiP: 0
Chemical formula: C23 H27 N8 O7 P Pt
InChI: InChI=1S/C13H9N.C10H14N5O7P.2H2N.Pt/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20;;;/h1-9H;3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17);2*1H2;/q;;2*-1;+2/t;4-,5+,6+;;;/m.0.../s1
InChIKey: ZHXCYGVJRWIEAF-LKLUREFCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1C(C(OC1N2C=[N](C3=C2N=C(NC3=O)N)[Pt](N)(N)[N]4=C5C=CC=CC5=C6C=CC=CC6=C4)COP(=O)(O)O)O
ACDLabs 12.01O=P(O)(O)OCC6OC(n2cn(c1c2N=C(N)NC1=O)[Pt](N)(N)n5c3ccccc3c4ccccc4c5)CC6O
CACTVS 3.385N[Pt](N)(|n1cc2ccccc2c3ccccc13)|n4cn([C@H]5C[C@H](O)[C@@H](CO[P](O)(O)=O)O5)c6nc(N)[nH]c(=O)c46
OpenEye OEToolkits 1.7.6C1[C@@H]([C@H](O[C@H]1N2C=[N](C3=C2N=C(NC3=O)N)[Pt](N)(N)[N]4=C5C=CC=CC5=C6C=CC=CC6=C4)COP(=O)(O)O)O
CACTVS 3.385N[Pt](N)(|n1cc2ccccc2c3ccccc13)|n4cn([CH]5C[CH](O)[CH](CO[P](O)(O)=O)O5)c6nc(N)[nH]c(=O)c46
Name:diamino(2'-deoxy-5'-guanylic acid-kappaN~8~)(phenanthridine)platinum
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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