SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C18 H15 N O S

InChI:

InChI=1S/C18H15NOS/c1-12-5-3-4-6-15(12)16-11-14(8-7-13(16)2)17(20)18-19-9-10-21-18/h3-11H,1-2H3

InChIKey:

WEOQMVQEKRDUIM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccccc1c2cc(ccc2C)C(=O)c3sccn3
ACDLabs 12.01	Cc1ccccc1c3c(ccc(C(=O)c2nccs2)c3)C
OpenEye OEToolkits 2.0.4	Cc1ccccc1c2cc(ccc2C)C(=O)c3nccs3

Name:

(2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone

ChEMBL:

ZINC:

ZINC000584904897

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).