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BioLiP Library

PDB CCD ID: NOK
Number of entries in BioLiP: 8
Chemical formula: C8 H16 N2 O4
InChI: InChI=1S/C8H16N2O4/c1-4(12)10-5-2-9-6(3-11)8(14)7(5)13/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8+/m0/s1
InChIKey: GBRAQQUMMCVTAV-LXGUWJNJSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(=O)N[CH]1CN[CH](CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0CC(=O)NC1CNC(C(C1O)O)CO
CACTVS 3.341CC(=O)N[C@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0CC(=O)N[C@H]1CN[C@@H]([C@H]([C@@H]1O)O)CO
ACDLabs 10.04O=C(NC1C(O)C(O)C(NC1)CO)C
Name:2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN
ChEMBL: CHEMBL382689
ZINC: ZINC000005167384
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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