BioLiP

PDB

BioLiP

PDB CCD ID:

QPK

Number of entries in BioLiP:

Chemical formula:

C6 H3 Cl F2 O

InChI:

InChI=1S/C6H3ClF2O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H

InChIKey:

CCLYWHXHYLQWQK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(c(c1F)O)F)Cl
CACTVS 3.385	Oc1c(F)ccc(Cl)c1F

Name:

3-chloranyl-2,6-bis(fluoranyl)phenol

ZINC:

ZINC000002381671

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).