BioLiP

PDB

BioLiP

PDB CCD ID:

4UJ

Number of entries in BioLiP:

Chemical formula:

C16 H11 Cl N2 O S

InChI:

InChI=1S/C16H11ClN2OS/c17-13-9-5-4-8-12(13)15(20)19-16-18-14(10-21-16)11-6-2-1-3-7-11/h1-10H,(H,18,19,20)

InChIKey:

FXJFKYBQUTVGOL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1ccccc1C(=O)Nc2scc(n2)c3ccccc3
OpenEye OEToolkits 1.9.2	c1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3Cl
ACDLabs 12.01	c3cc(Cl)c(C(Nc1scc(n1)c2ccccc2)=O)cc3

Name:

2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

ChEMBL:

CHEMBL1396383

ZINC:

ZINC000018095876

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).