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BioLiP Library

PDB CCD ID: 93D
Number of entries in BioLiP: 0
Chemical formula: C9 H15 N4 O6 P
InChI: InChI=1S/C9H15N4O6P/c10-8-4(2-12-9(11)13-8)6-1-5(14)7(19-6)3-18-20(15,16)17/h2,5-7,14H,1,3H2,(H2,15,16,17)(H4,10,11,12,13)/t5-,6+,7+/m0/s1
InChIKey: MXGZIYVRSFKADT-RRKCRQDMSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ncc([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)c(N)n1
ACDLabs 12.01P(OCC1C(O)CC(O1)c2cnc(nc2N)N)(O)(=O)O
OpenEye OEToolkits 2.0.6c1c(c(nc(n1)N)N)C2CC(C(O2)COP(=O)(O)O)O
OpenEye OEToolkits 2.0.6c1c(c(nc(n1)N)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
CACTVS 3.385Nc1ncc([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)c(N)n1
Name:(1R)-1,4-anhydro-2-deoxy-1-(2,4-diaminopyrimidin-5-yl)-5-O-phosphono-D-erythro-pentitol
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)(download the PDF file).
  • 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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