BioLiP

PDB

BioLiP

PDB CCD ID:

7T0

Number of entries in BioLiP:

Chemical formula:

C9 H4 Cl2 F3 N3

InChI:

InChI=1S/C9H4Cl2F3N3/c10-5-1-2-6(17-4-3-15-16-17)8(11)7(5)9(12,13)14/h1-4H

InChIKey:

XVFXHCLMGYJAQI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	FC(F)(F)c1c(Cl)ccc(n2ccnn2)c1Cl
OpenEye OEToolkits 2.0.7	c1cc(c(c(c1n2ccnn2)Cl)C(F)(F)F)Cl

Name:

1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazole;
1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole

ChEMBL:

CHEMBL5178575

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).