BioLiP

PDB

BioLiP

PDB CCD ID:

3H7

Number of entries in BioLiP:

Chemical formula:

C7 H4 F2 N2 S

InChI:

InChI=1S/C7H4F2N2S/c8-3-1-4(9)6-5(2-3)12-7(10)11-6/h1-2H,(H2,10,11)

InChIKey:

DDKKXSCVPKDRRS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1sc2cc(F)cc(F)c2n1
OpenEye OEToolkits 1.9.2	c1c(cc2c(c1F)nc(s2)N)F
ACDLabs 12.01	Fc1cc(F)cc2sc(nc12)N

Name:

4,6-difluoro-1,3-benzothiazol-2-amine

ZINC:

ZINC000000167329

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).