BioLiP

PDB

BioLiP

PDB CCD ID:

UAI

Number of entries in BioLiP:

Chemical formula:

C15 H14 Cl2 O2

InChI:

InChI=1S/C15H14Cl2O2/c1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10/h3-8,18-19H,1-2H3

InChIKey:

XBQRPFBBTWXIFI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)(c1ccc(c(c1)Cl)O)c2ccc(c(c2)Cl)O
CACTVS 3.385	CC(C)(c1ccc(O)c(Cl)c1)c2ccc(O)c(Cl)c2

Name:

2-chloranyl-4-[2-(3-chloranyl-4-oxidanyl-phenyl)propan-2-yl]phenol

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).