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BioLiP

PDB CCD ID: 6HG
Number of entries in BioLiP: 0
Chemical formula: C11 H16 N5 O7 P
InChI: InChI=1S/C11H16N5O7P/c12-11-14-9-8(10(18)15-11)13-4-16(9)5-1-6(17)7(22-2-5)3-23-24(19,20)21/h4-7,17H,1-3H2,(H2,19,20,21)(H3,12,14,15,18)/t5-,6-,7+/m0/s1
InChIKey: IBBBHRHYCFXRDW-LYFYHCNISA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C2NC(=Nc1n(cnc12)C3CC(O)C(OC3)COP(=O)(O)O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1C3CC(C(OC3)COP(=O)(O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3C[C@@H]([C@H](OC3)COP(=O)(O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3CO[CH](CO[P](O)(O)=O)[CH](O)C3
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3CO[C@H](CO[P](O)(O)=O)[C@@H](O)C3
Name:1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(GUANIN-9-YL)-6'-O-PHOSPHORYL-D-ARABINO-HEXITOL
ZINC: ZINC000058633405
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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