BioLiP

PDB

BioLiP

PDB CCD ID:

KBM

Number of entries in BioLiP:

Chemical formula:

C16 H11 Cl O3

InChI:

InChI=1S/C16H11ClO3/c1-19-13-6-7-14-11(8-13)9-15(20-14)16(18)10-2-4-12(17)5-3-10/h2-9H,1H3

InChIKey:

SVQLTYVFAXKBMP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	COc1ccc2c(c1)cc(o2)C(=O)c3ccc(cc3)Cl
CACTVS 3.352	COc1ccc2oc(cc2c1)C(=O)c3ccc(Cl)cc3

Name:

(4-chlorophenyl)(5-methoxy-1-benzofuran-2-yl)methanone

ZINC:

ZINC000000150564

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).