BioLiP

PDB

BioLiP

PDB CCD ID:

EZO

Number of entries in BioLiP:

Chemical formula:

C18 H14 Cl N3 O2 S

InChI:

InChI=1S/C18H14ClN3O2S/c1-22(20-10-12-6-2-3-7-13(12)17(23)24)18-21-16(11-25-18)14-8-4-5-9-15(14)19/h2-11H,1H3,(H,23,24)/b20-10+

InChIKey:

MWIQPUXVXAVFRM-KEBDBYFISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(c1nc(cs1)c2ccccc2Cl)/N=C/c3ccccc3C(=O)O
OpenEye OEToolkits 2.0.7	CN(c1nc(cs1)c2ccccc2Cl)N=Cc3ccccc3C(=O)O
CACTVS 3.385	CN(N=Cc1ccccc1C(O)=O)c2scc(n2)c3ccccc3Cl
CACTVS 3.385	CN(\N=C\c1ccccc1C(O)=O)c2scc(n2)c3ccccc3Cl

Name:

2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid

ChEMBL:

CHEMBL3980486

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).