BioLiP

PDB

BioLiP

PDB CCD ID:

UGG

Number of entries in BioLiP:

Chemical formula:

C17 H14 N2 O

InChI:

InChI=1S/C17H14N2O/c20-17(19-15-7-2-1-3-8-15)10-14-12-18-11-13-6-4-5-9-16(13)14/h1-9,11-12H,10H2,(H,19,20)

InChIKey:

XBRJTBLYIAYTOZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C(Cc1cncc2ccccc12)Nc3ccccc3
ACDLabs 12.01	N(c1ccccc1)C(=O)Cc2c3c(cnc2)cccc3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)NC(=O)Cc2cncc3c2cccc3

Name:

2-(isoquinolin-4-yl)-N-phenylacetamide

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).