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BioLiP

PDB CCD ID: 3X8
Number of entries in BioLiP: 10
Chemical formula: C18 H20 O6
InChI: InChI=1S/C18H20O6/c19-10-14-15(20)16(21)17(22)18(24-14)23-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-22H,10H2/t14-,15-,16+,17+,18+/m1/s1
InChIKey: SZBKRKVDBPBJHL-ZBRFXRBCSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[C@H]1O[C@H](Oc2ccc(cc2)c3ccccc3)[C@@H](O)[C@@H](O)[C@@H]1O
ACDLabs 12.01O(c2ccc(c1ccccc1)cc2)C3OC(C(O)C(O)C3O)CO
CACTVS 3.385OC[CH]1O[CH](Oc2ccc(cc2)c3ccccc3)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.9.2c1ccc(cc1)c2ccc(cc2)OC3C(C(C(C(O3)CO)O)O)O
OpenEye OEToolkits 1.9.2c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Name:biphenyl-4-yl alpha-D-mannopyranoside
ChEMBL: CHEMBL1170072
ZINC: ZINC000084566672
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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