BioLiP

PDB

BioLiP

PDB CCD ID:

3X8

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.385	OC[C@H]1O[C@H](Oc2ccc(cc2)c3ccccc3)[C@@H](O)[C@@H](O)[C@@H]1O
ACDLabs 12.01	O(c2ccc(c1ccccc1)cc2)C3OC(C(O)C(O)C3O)CO
CACTVS 3.385	OC[CH]1O[CH](Oc2ccc(cc2)c3ccccc3)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.9.2	c1ccc(cc1)c2ccc(cc2)OC3C(C(C(C(O3)CO)O)O)O
OpenEye OEToolkits 1.9.2	c1ccc(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, Lydia 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).