BioLiP

PDB

BioLiP

PDB CCD ID:

A1ACR

Number of entries in BioLiP:

Chemical formula:

C13 H9 Cl2 N3 O

InChI:

InChI=1S/C13H9Cl2N3O/c14-9-6-16-12(15)5-11(9)17-8-1-2-10-7(3-8)4-13(19)18-10/h1-3,5-6H,4H2,(H,16,17)(H,18,19)

InChIKey:

RHZXOSKCWDIAFP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc1Nc3cc(ncc3Cl)Cl)CC(=O)N2
CACTVS 3.385	Clc1cc(Nc2ccc3NC(=O)Cc3c2)c(Cl)cn1
ACDLabs 12.01	Clc1cc(Nc2cc3CC(=O)Nc3cc2)c(Cl)cn1

Name:

5-[(2,5-dichloropyridin-4-yl)amino]-1,3-dihydro-2H-indol-2-one

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).