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BioLiP

PDB CCD ID: 6SZ
Number of entries in BioLiP: 1
Chemical formula: C10 H12 N5 O6 P
InChI: InChI=1S/C10H12N5O6P/c11-10-12-1-4-8(14-10)15(3-13-4)9-6(16)7-5(20-9)2-19-22(17,18)21-7/h1,3,5-7,9,16H,2H2,(H,17,18)(H2,11,12,14)/t5-,6-,7-,9-/m1/s1
InChIKey: ZZUVWWINFTZMGV-JXOAFFINSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ncc2ncn([C@@H]3O[C@@H]4CO[P](O)(=O)O[C@H]4[C@H]3O)c2n1
OpenEye OEToolkits 2.0.5c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O
OpenEye OEToolkits 2.0.5c1c2c(nc(n1)N)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O
CACTVS 3.385Nc1ncc2ncn([CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O)c2n1
Name:2-Aminopurine riboside-3',5'-cyclic monophosphate;
2-NH2-cPuMP
ZINC: ZINC000038580933
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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