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BioLiP

PDB CCD ID: 04N
Number of entries in BioLiP: 0
Chemical formula: C13 H17 N O5
InChI: InChI=1S/C13H17NO5/c14-9-10(15)11-8(18-12(9)16)6-17-13(19-11)7-4-2-1-3-5-7/h1-5,8-13,15-16H,6,14H2/t8-,9-,10-,11-,12+,13-/m1/s1
InChIKey: BIHZUORUPXZYTO-WXCVZDNMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)O)N)O
OpenEye OEToolkits 1.9.2c1ccc(cc1)C2OCC3C(O2)C(C(C(O3)O)N)O
CACTVS 3.385N[C@H]1[C@@H](O)O[C@@H]2CO[C@H](O[C@H]2[C@@H]1O)c3ccccc3
ACDLabs 12.01O1C(O)C(N)C(O)C2OC(OCC12)c3ccccc3
CACTVS 3.385N[CH]1[CH](O)O[CH]2CO[CH](O[CH]2[CH]1O)c3ccccc3
Name:2-amino-2-deoxy-4,6-O-(phenylmethylidene)-alpha-D-glucopyranose
ZINC: ZINC000098207762
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).
  • 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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