BioLiP

PDB

BioLiP

PDB CCD ID:

CWX

Number of entries in BioLiP:

Chemical formula:

C19 H23 N O8 S

InChI:

InChI=1S/C19H23NO8S/c1-20-29(25,26)14-8-4-12(5-9-14)11-2-6-13(7-3-11)27-19-18(24)17(23)16(22)15(10-21)28-19/h2-9,15-24H,10H2,1H3/t15-,16-,17+,18-,19+/m1/s1

InChIKey:

CVQPQNFDTNLHAE-FQBWVUSXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CNS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC3C(C(C(C(O3)CO)O)O)O
ACDLabs 12.01	O=S(=O)(NC)c1ccc(cc1)c3ccc(OC2OC(C(O)C(O)C2O)CO)cc3
CACTVS 3.385	CN[S](=O)(=O)c1ccc(cc1)c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2
OpenEye OEToolkits 1.7.6	CNS(=O)(=O)c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
CACTVS 3.385	CN[S](=O)(=O)c1ccc(cc1)c2ccc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc2

Name:

4'-(alpha-D-Mannopyranosyloxy)-biphenyl-4-methyl sulfonamide

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).