SEQ2FUN

BioLiP

PDB CCD ID: RBV
Number of entries in BioLiP: 10
Chemical formula: C8 H12 N4 O5
InChI: InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1
InChIKey: IWUCXVSUMQZMFG-AFCXAGJDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NC(=O)c1ncn(n1)[CH]2O[CH](CO)[CH](O)[CH]2O
ACDLabs 12.01O=C(c1ncn(n1)C2OC(C(O)C2O)CO)N
OpenEye OEToolkits 1.7.2c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N
OpenEye OEToolkits 1.7.2c1nc(nn1C2C(C(C(O2)CO)O)O)C(=O)N
CACTVS 3.370NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
Name:1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide;
Ribavirin
ChEMBL: CHEMBL1643
DrugBank: DB00811
ZINC: ZINC000001035331
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).