BioLiP

PDB

BioLiP

PDB CCD ID:

NB7

Number of entries in BioLiP:

Chemical formula:

C13 H11 F N2 O3 S

InChI:

InChI=1S/C13H11FN2O3S/c14-11-8-4-5-9-12(11)20(18,19)16-15-13(17)10-6-2-1-3-7-10/h1-9,16H,(H,15,17)

InChIKey:

DNZDKRQQOYZLNO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Fc1ccccc1[S](=O)(=O)NNC(=O)c2ccccc2
ACDLabs 12.01	c1(ccccc1S(NNC(c2ccccc2)=O)(=O)=O)F
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C(=O)NNS(=O)(=O)c2ccccc2F

Name:

N'-[(2-fluorophenyl)sulfonyl]benzohydrazide

ChEMBL:

CHEMBL4530847

ZINC:

ZINC000009513173

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).