BioLiP

PDB

BioLiP

PDB CCD ID:

MLS

Number of entries in BioLiP:

Chemical formula:

C18 H15 F N2 O3 S

InChI:

InChI=1S/C18H15FN2O3S/c1-12-5-4-8-16(17(12)19)18(22)20-21-25(23,24)15-10-9-13-6-2-3-7-14(13)11-15/h2-11,21H,1H3,(H,20,22)

InChIKey:

DILVLVXPRQTRMP-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c2(cc1ccccc1cc2)S(NNC(c3c(c(C)ccc3)F)=O)(=O)=O
OpenEye OEToolkits 2.0.7	Cc1cccc(c1F)C(=O)NNS(=O)(=O)c2ccc3ccccc3c2
CACTVS 3.385	Cc1cccc(C(=O)NN[S](=O)(=O)c2ccc3ccccc3c2)c1F

Name:

2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide

ChEMBL:

CHEMBL4520147

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).