BioLiP

PDB

BioLiP

PDB CCD ID:

A1L8G

Number of entries in BioLiP:

Chemical formula:

C11 H12 N2 O S

InChI:

InChI=1S/C11H12N2OS/c1-13(10-5-3-2-4-6-10)11-12-9(7-14)8-15-11/h2-6,8,14H,7H2,1H3

InChIKey:

ZDTJXRHMIPGVKX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(c1scc(CO)n1)c2ccccc2
OpenEye OEToolkits 2.0.7	CN(c1ccccc1)c2nc(cs2)CO

Name:

[2-[methyl(phenyl)amino]-1,3-thiazol-4-yl]methanol

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).