BioLiP

PDB

BioLiP

PDB CCD ID:

QJ6

Number of entries in BioLiP:

Chemical formula:

C18 H14 Cl2 N2 O2

InChI:

InChI=1S/C18H14Cl2N2O2/c1-24-17(11-6-7-14(19)15(20)8-11)18(23)22-16-10-21-9-12-4-2-3-5-13(12)16/h2-10,17H,1H3,(H,22,23)/t17-/m1/s1

InChIKey:

HQIMBBKRSDUGNW-QGZVFWFLSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CO[CH](C(=O)Nc1cncc2ccccc12)c3ccc(Cl)c(Cl)c3
OpenEye OEToolkits 2.0.7	COC(c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3
CACTVS 3.385	CO[C@@H](C(=O)Nc1cncc2ccccc12)c3ccc(Cl)c(Cl)c3
ACDLabs 12.01	Clc1ccc(cc1Cl)C(OC)C(=O)Nc1cncc2ccccc21
OpenEye OEToolkits 2.0.7	CO[C@H](c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3

Name:

(2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-methoxyacetamide

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).