BioLiP

PDB

BioLiP

PDB CCD ID:

JTS

Number of entries in BioLiP:

Chemical formula:

C15 H12 N2 O S

InChI:

InChI=1S/C15H12N2OS/c1-10-14(19-9-16-10)15(18)17-13-7-6-11-4-2-3-5-12(11)8-13/h2-9H,1H3,(H,17,18)

InChIKey:

UZLLQPJAEOJDCI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	Cc1c(scn1)C(=O)Nc2ccc3ccccc3c2
ACDLabs 12.01	O=C(Nc2cc1ccccc1cc2)c3scnc3C
CACTVS 3.370	Cc1ncsc1C(=O)Nc2ccc3ccccc3c2

Name:

4-methyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide

ZINC:

ZINC000082270201

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).