BioLiP

PDB

BioLiP

PDB CCD ID:

WBF

Number of entries in BioLiP:

Chemical formula:

C8 H9 F N2 O S

InChI:

InChI=1S/C8H9FN2OS/c9-6-3-1-2-4-7(6)13-5-8(12)11-10/h1-4H,5,10H2,(H,11,12)

InChIKey:

RONLEONBAODMIS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)F)SCC(=O)NN
ACDLabs 12.01 CACTVS 3.385	NNC(=O)CSc1ccccc1F

Name:

2-[(2-fluorophenyl)sulfanyl]acetohydrazide

ZINC:

ZINC000003887093

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).