SEQ2FUN

BioLiP

PDB CCD ID: 91N
Number of entries in BioLiP: 0
Chemical formula: C15 H16 N3 O6 P S
InChI: InChI=1S/C15H16N3O6PS/c19-10-6-13(24-11(10)7-23-25(20,21)22)18-8-17-14-9(3-4-16-15(14)18)12-2-1-5-26-12/h1-5,8,10-11,13,19H,6-7H2,(H2,20,21,22)/t10-,11+,13+/m0/s1
InChIKey: GLFNHMNJDTYQMB-DMDPSCGWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(sc1)c2ccnc3c2ncn3C4CC(C(O4)COP(=O)(O)O)O
CACTVS 3.385O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(ccnc23)c4sccc4
OpenEye OEToolkits 2.0.6c1cc(sc1)c2ccnc3c2ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O
CACTVS 3.385O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3c(ccnc23)c4sccc4
Name:[(2~{R},3~{S},5~{R})-3-oxidanyl-5-(7-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate
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).