BioLiP

PDB

BioLiP

PDB CCD ID:

OF6

Number of entries in BioLiP:

Chemical formula:

C11 H11 Cl N2 S

InChI:

InChI=1S/C11H11ClN2S/c1-13-6-10-7-15-11(14-10)8-3-2-4-9(12)5-8/h2-5,7,13H,6H2,1H3

InChIKey:

YHQACXKNKUPSSA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CNCc1csc(n1)c2cccc(Cl)c2
OpenEye OEToolkits 3.1.0.0	CNCc1csc(n1)c2cccc(c2)Cl

Name:

1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-~{N}-methyl-methanamine;
1-(2-(3-chlorophenyl)thiazol-4-yl)-N-methylmethanamine

ZINC:

ZINC000012370330

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).