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BioLiP

PDB CCD ID: 8FG
Number of entries in BioLiP: 0
Chemical formula: C25 H25 N6 O8 P
InChI: InChI=1S/C25H25N6O8P/c1-12(32)30(15-6-7-17-14(9-15)8-13-4-2-3-5-16(13)17)25-27-21-22(28-24(26)29-23(21)34)31(25)20-10-18(33)19(39-20)11-38-40(35,36)37/h2-7,9,18-20,33H,8,10-11H2,1H3,(H2,35,36,37)(H3,26,28,29,34)/t18-,19+,20+/m0/s1
InChIKey: NDOGYHUMWQPHFA-XUVXKRRUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)N(c1ccc-2c(c1)Cc3c2cccc3)c4nc5c(n4C6CC(C(O6)COP(=O)(O)O)O)N=C(NC5=O)N
CACTVS 3.341CC(=O)N(c1ccc2c(Cc3ccccc23)c1)c4nc5C(=O)NC(=Nc5n4[C@H]6C[C@H](O)[C@@H](CO[P](O)(O)=O)O6)N
ACDLabs 10.04O=C1c2nc(n(c2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O)N(c6ccc5c4ccccc4Cc5c6)C(=O)C
OpenEye OEToolkits 1.5.0CC(=O)N(c1ccc-2c(c1)Cc3c2cccc3)c4nc5c(n4[C@H]6C[C@@H]([C@H](O6)COP(=O)(O)O)O)N=C(NC5=O)N
CACTVS 3.341CC(=O)N(c1ccc2c(Cc3ccccc23)c1)c4nc5C(=O)NC(=Nc5n4[CH]6C[CH](O)[CH](CO[P](O)(O)=O)O6)N
Name:N-(5'-PHOSPHO-2'-DEOXYGUANOSIN-8-YL)-2-ACETYLAMINOFLUORENE
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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