BioLiP

PDB

BioLiP

PDB CCD ID:

A1IK2

Number of entries in BioLiP:

Chemical formula:

C17 H21 N3 O5 S

InChI:

InChI=1S/C17H21N3O5S/c1-24-13-8-6-12(7-9-13)14-11-26-17(18-14)16(22)20-25-10-4-2-3-5-15(21)19-23/h6-9,11,23H,2-5,10H2,1H3,(H,19,21)(H,20,22)

InChIKey:

LAFLKLWIJPLLQL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	COc1ccc(cc1)c2csc(n2)C(=O)NOCCCCCC(=O)NO

Name:

4-(4-methoxyphenyl)-~{N}-[6-(oxidanylamino)-6-oxidanylidene-hexoxy]-1,3-thiazole-2-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).