BioLiP

PDB

BioLiP

PDB CCD ID:

OJ9

Number of entries in BioLiP:

Chemical formula:

C19 H13 Cl N2 O2

InChI:

InChI=1S/C19H13ClN2O2/c20-15-7-12-5-6-24-19(12)14(8-15)9-18(23)22-17-11-21-10-13-3-1-2-4-16(13)17/h1-8,10-11H,9H2,(H,22,23)

InChIKey:

BSHOYSAYHBYYEY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc4c3occ4)Cl
CACTVS 3.385	Clc1cc(CC(=O)Nc2cncc3ccccc23)c4occc4c1
ACDLabs 12.01	Clc1cc2ccoc2c(c1)CC(=O)Nc1cncc2ccccc21

Name:

2-(5-chloro-1-benzofuran-7-yl)-N-(isoquinolin-4-yl)acetamide

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).