SEQ2FUN

BioLiP

PDB CCD ID: 7RP
Number of entries in BioLiP: 1
Chemical formula: C10 H13 N4 O7 P
InChI: InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-9-5(14)1-11-3-12-9/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10+/m1/s1
InChIKey: NICKPTPNIMHUHB-DQUBFYRCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c2c(ncn1)ncn2C3C(C(C(O3)COP(=O)(O)O)O)O
ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1ncncc12)C(O)C3O
OpenEye OEToolkits 1.5.0c1c2c(ncn1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)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)n2cnc3ncncc23
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3ncncc23
Name:7-ALPHA-D-RIBOFURANOSYL-PURINE-5'-PHOSPHATE
DrugBank: DB03200
ZINC: ZINC000012503220
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).