SEQ2FUN

BioLiP

PDB CCD ID: MZR
Number of entries in BioLiP: 2
Chemical formula: C9 H13 N3 O6
InChI: InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1
InChIKey: HZQDCMWJEBCWBR-UUOKFMHZSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(c1ncn(c1O)C2OC(C(O)C2O)CO)N
CACTVS 3.370NC(=O)c1ncn([CH]2O[CH](CO)[CH](O)[CH]2O)c1O
OpenEye OEToolkits 1.7.2c1nc(c(n1C2C(C(C(O2)CO)O)O)O)C(=O)N
CACTVS 3.370NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O
OpenEye OEToolkits 1.7.2c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)N
Name:5-hydroxy-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide;
Mizoribine
ChEMBL: CHEMBL245019
DrugBank: DB12617
ZINC: ZINC000003812887
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).