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BioLiP

PDB CCD ID: 1AB
Number of entries in BioLiP: 3
Chemical formula: C5 H11 N O3
InChI: InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m1/s1
InChIKey: OQEBIHBLFRADNM-UOWFLXDJSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H](N1)CO)O)O
OpenEye OEToolkits 1.5.0C1C(C(C(N1)CO)O)O
CACTVS 3.341OC[C@H]1NC[C@@H](O)[C@@H]1O
ACDLabs 10.04OCC1NCC(O)C1O
CACTVS 3.341OC[CH]1NC[CH](O)[CH]1O
Name:1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL
ChEMBL: CHEMBL80254
ZINC: ZINC000001492250
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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