BioLiP

PDB

BioLiP

PDB CCD ID:

YC5

Number of entries in BioLiP:

Chemical formula:

C6 H6 F N S

InChI:

InChI=1S/C6H6FNS/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2

InChIKey:

MAOWDGRYXPTHRM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(cc1S)F)N
CACTVS 3.385	Nc1ccc(S)cc1F

Name:

4-azanyl-3-fluoranyl-benzenethiol

ZINC:

ZINC000020247140

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).