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BioLiP

PDB CCD ID: 04O
Number of entries in BioLiP: 0
Chemical formula: C15 H21 N O5
InChI: InChI=1S/C15H21NO5/c16-12-13(17)14-10(20-15(12)18)8-19-11(21-14)7-6-9-4-2-1-3-5-9/h1-5,10-15,17-18H,6-8,16H2/t10-,11-,12-,13-,14-,15+/m1/s1
InChIKey: AWZFJXPWUYCUGB-OJVARPOJSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)CC[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)CCC2OCC3C(O2)C(C(C(O3)O)N)O
ACDLabs 12.01O1C(O)C(N)C(O)C2OC(OCC12)CCc3ccccc3
CACTVS 3.385N[CH]1[CH](O)O[CH]2CO[CH](CCc3ccccc3)O[CH]2[CH]1O
CACTVS 3.385N[C@H]1[C@@H](O)O[C@@H]2CO[C@@H](CCc3ccccc3)O[C@H]2[C@@H]1O
Name:2-amino-2-deoxy-4,6-O-[(1R)-3-phenylpropylidene]-alpha-D-glucopyranose
ZINC: ZINC000098207763
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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