SEQ2FUN

BioLiP

PDB CCD ID: IRN
Number of entries in BioLiP: 6
Chemical formula: C8 H13 N2 O7 P
InChI: InChI=1S/C8H13N2O7P/c11-6-5(3-16-18(13,14)15)17-8(7(6)12)10-2-1-9-4-10/h1-2,4-8,11-12H,3H2,(H2,13,14,15)/t5-,6-,7-,8-/m1/s1
InChIKey: YEBULYOZZUNFGU-WCTZXXKLSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2ccnc2
OpenEye OEToolkits 1.5.0c1cn(cn1)C2C(C(C(O2)COP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
CACTVS 3.341O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2ccnc2
ACDLabs 10.04O=P(O)(O)OCC2OC(n1cncc1)C(O)C2O
Name:1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole
ZINC: ZINC000058650251
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).