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BioLiP

PDB CCD ID: 6SW
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N4 O7 P
InChI: InChI=1S/C10H11N4O7P/c15-6-7-4(1-19-22(17,18)21-7)20-10(6)14-3-13-5-8(14)11-2-12-9(5)16/h2-4,6-7,10,15H,1H2,(H,17,18)(H,11,12,16)/t4-,6-,7-,10-/m1/s1
InChIKey: DMJWGQPYNRPLGA-KQYNXXCUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[CH]1[CH]2O[P](O)(=O)OC[CH]2O[CH]1n3cnc4C(=O)NC=Nc34
OpenEye OEToolkits 2.0.5c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O)N=CNC2=O
CACTVS 3.385O[C@@H]1[C@@H]2O[P](O)(=O)OC[C@H]2O[C@H]1n3cnc4C(=O)NC=Nc34
OpenEye OEToolkits 2.0.5c1nc2c(n1C3C(C4C(O3)COP(=O)(O4)O)O)N=CNC2=O
Name:Inosine-3',5'-cyclic monophosphate;
cIMP
ZINC: ZINC000004095503
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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