BioLiP

PDB

BioLiP

PDB CCD ID:

VIZ

Number of entries in BioLiP:

Chemical formula:

C18 H16 N2 O6 S2

InChI:

InChI=1S/C18H16N2O6S2/c21-16(19-18-20(24)15(9-27-18)8-17(22)23)11-28(25,26)10-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,9,24H,8,10-11H2,(H,22,23)/b19-18-

InChIKey:

QNCNQHCDQMPPGD-HNENSFHCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2cc(ccc2c1)CS(=O)(=O)CC(=O)N=C3N(C(=CS3)CC(=O)O)O
CACTVS 3.385	ON1C(=CSC1=NC(=O)C[S](=O)(=O)Cc2ccc3ccccc3c2)CC(O)=O
OpenEye OEToolkits 2.0.7	c1ccc2cc(ccc2c1)CS(=O)(=O)CC(=O)/N=C\3/N(C(=CS3)CC(=O)O)O

Name:

2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid

ChEMBL:

CHEMBL2312530

ZINC:

ZINC000095596218

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).