SEQ2FUN

BioLiP

PDB CCD ID: 1RB
Number of entries in BioLiP: 1
Chemical formula: C12 H15 N2 O7 P
InChI: InChI=1S/C12H15N2O7P/c15-10-9(5-20-22(17,18)19)21-12(11(10)16)14-6-13-7-3-1-2-4-8(7)14/h1-4,6,9-12,15-16H,5H2,(H2,17,18,19)/t9-,10-,11-,12+/m1/s1
InChIKey: YPYFPLLZCVEYCS-KKOKHZNYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1ccccc12)C(O)C3O
OpenEye OEToolkits 1.5.0c1ccc2c(c1)ncn2C3C(C(C(O3)COP(=O)(O)O)O)O
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3ccccc23
CACTVS 3.341O[C@H]1[C@@H](O)[C@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3ccccc23
OpenEye OEToolkits 1.5.0c1ccc2c(c1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
Name:1-ALPHA-D-RIBOFURANOSYL-BENZIMIAZOLE-5'-PHOSPHATE;
ALPHA-RIBAZOLE-5'-PHOSPHATE DERIVATIVE
DrugBank: DB03079
ZINC: ZINC000005940363
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).