BioLiP

PDB

BioLiP

PDB CCD ID:

MJO

Number of entries in BioLiP:

Chemical formula:

C19 H21 N O5

InChI:

InChI=1S/C19H21NO5/c1-11-15(21)16(22)17(23)19(25-11)20-18(24)14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-11,15-17,19,21-23H,1H3,(H,20,24)/t11-,15+,16+,17-,19-/m0/s1

InChIKey:

KFRIUGARMXQWFO-QFFBLRJASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)NC(=O)c2cccc(c2)c3ccccc3)O)O)O
CACTVS 3.385	C[C@@H]1O[C@H](NC(=O)c2cccc(c2)c3ccccc3)[C@@H](O)[C@H](O)[C@@H]1O
CACTVS 3.385	C[CH]1O[CH](NC(=O)c2cccc(c2)c3ccccc3)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7	CC1C(C(C(C(O1)NC(=O)c2cccc(c2)c3ccccc3)O)O)O

Name:

N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide;
~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]-3-phenyl-benzamide

ChEMBL:

CHEMBL5176327

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).