BioLiP

PDB

BioLiP

PDB CCD ID:

A1IH4

Number of entries in BioLiP:

Chemical formula:

C15 H18 N2 O5

InChI:

InChI=1S/C15H18N2O5/c1-7-11(18)12(19)13(20)15(22-7)17-14(21)9-2-3-10-8(6-9)4-5-16-10/h2-7,11-13,15-16,18-20H,1H3,(H,17,21)/t7-,11+,12+,13-,15-/m0/s1

InChIKey:

IZLXHXGEKDQVRW-VUOWJXOESA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@@H]1O[C@H](NC(=O)c2ccc3[nH]ccc3c2)[C@@H](O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.7	CC1C(C(C(C(O1)NC(=O)c2ccc3c(c2)cc[nH]3)O)O)O
OpenEye OEToolkits 2.0.7	C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)NC(=O)c2ccc3c(c2)cc[nH]3)O)O)O
CACTVS 3.385	C[CH]1O[CH](NC(=O)c2ccc3[nH]ccc3c2)[CH](O)[CH](O)[CH]1O

Name:

beta-L-fucopyranosyl-1H-indole-6-carboxamide;
N-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]-1H-indole-5-carboxamide

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).