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BioLiP

PDB CCD ID: 6SX
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N4 O6 P
InChI: InChI=1S/C10H11N4O6P/c15-7-8-6(2-18-21(16,17)20-8)19-10(7)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15H,2H2,(H,16,17)/t6-,7-,8-,10-/m1/s1
InChIKey: AVSJXTVPIHQRPY-FDDDBJFASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O
OpenEye OEToolkits 2.0.5c1c2c(ncn1)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O
CACTVS 3.385O[CH]1[CH]2O[P](O)(=O)OC[CH]2O[CH]1n3cnc4cncnc34
CACTVS 3.385O[C@@H]1[C@@H]2O[P](O)(=O)OC[C@H]2O[C@H]1n3cnc4cncnc34
Name:Purine riboside-3',5'-cyclic monophosphate;
cPuMP
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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