BioLiP

PDB

BioLiP

PDB CCD ID:

MQJ

Number of entries in BioLiP:

Chemical formula:

C17 H13 F N2 O3 S

InChI:

InChI=1S/C17H13FN2O3S/c18-16-8-4-3-7-15(16)17(21)19-20-24(22,23)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,20H,(H,19,21)

InChIKey:

CMGWGSMHPCWLOH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Fc1ccccc1C(=O)NN[S](=O)(=O)c2ccc3ccccc3c2
ACDLabs 12.01	C(=O)(c1ccccc1F)NNS(=O)(=O)c3cc2ccccc2cc3
OpenEye OEToolkits 2.0.7	c1ccc2cc(ccc2c1)S(=O)(=O)NNC(=O)c3ccccc3F

Name:

2-fluoro-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide

ChEMBL:

CHEMBL4470091

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).