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BioLiP

PDB CCD ID: 26M
Number of entries in BioLiP: 1
Chemical formula: C20 H23 N O7
InChI: InChI=1S/C20H23NO7/c22-10-15-17(24)18(25)19(26)20(28-15)21-16(23)11-27-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,17-20,22,24-26H,10-11H2,(H,21,23)/t15-,17-,18+,19-,20-/m1/s1
InChIKey: NSADEBQKFSASLM-XIKSMUEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2ccc(cc2)OCC(=O)NC3C(C(C(C(O3)CO)O)O)O
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2ccc(cc2)OCC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
CACTVS 3.385OC[CH]1O[CH](NC(=O)COc2ccc(cc2)c3ccccc3)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01O=C(NC1OC(C(O)C(O)C1O)CO)COc3ccc(c2ccccc2)cc3
CACTVS 3.385OC[C@H]1O[C@@H](NC(=O)COc2ccc(cc2)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]1O
Name:N-[(biphenyl-4-yloxy)acetyl]-beta-D-glucopyranosylamine
ChEMBL: CHEMBL3322341
ZINC: ZINC000098208096
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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