BioLiP

PDB

BioLiP

PDB CCD ID:

JUT

Number of entries in BioLiP:

Chemical formula:

C9 H6 F2 N2 S

InChI:

InChI=1S/C9H6F2N2S/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-4H,(H2,12,13)

InChIKey:

NDCSJUJQMRFHEX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1scc(n1)c2ccc(F)c(F)c2
OpenEye OEToolkits 2.0.7	c1cc(c(cc1c2csc(n2)N)F)F

Name:

4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-amine

ZINC:

ZINC000000092387

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).