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BioLiP

PDB CCD ID: BRD
Number of entries in BioLiP: 4
Chemical formula: C10 H14 N2 O5
InChI: InChI=1S/C10H14N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h1-4,6-9,13-15H,5H2,(H,11,16)/t6-,7-,8-,9-/m1/s1
InChIKey: MEPCJRCEYSZBDO-FNCVBFRFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CNC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
ACDLabs 10.04O=C1NC=CC=CN1C2OC(C(O)C2O)CO
OpenEye OEToolkits 1.5.0C1=CNC(=O)N(C=C1)C2C(C(C(O2)CO)O)O
CACTVS 3.341OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC=CNC2=O
CACTVS 3.341OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC=CNC2=O
Name:1-BETA-RIBOFURANOSYL-1,3-DIAZEPINONE
DrugBank: DB03185
ZINC: ZINC000033821233
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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