BioLiP

PDB

BioLiP

PDB CCD ID:

JTT

Number of entries in BioLiP:

Chemical formula:

C16 H14 N2 O S

InChI:

InChI=1S/C16H14N2OS/c1-10-15(20-11(2)17-10)16(19)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,18,19)

InChIKey:

CXTLAWSTWSPWGT-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(c1sc(nc1C)C)Nc3cc2ccccc2cc3
OpenEye OEToolkits 1.7.6	Cc1c(sc(n1)C)C(=O)Nc2ccc3ccccc3c2
CACTVS 3.370	Cc1sc(C(=O)Nc2ccc3ccccc3c2)c(C)n1

Name:

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

ZINC:

ZINC000014429132

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).