BioLiP

PDB

BioLiP

PDB CCD ID:

RIQ

Number of entries in BioLiP:

Chemical formula:

C10 H9 Cl2 N O

InChI:

InChI=1S/C10H9Cl2NO/c1-6(14)13-5-4-7-9(13)3-2-8(11)10(7)12/h2-3H,4-5H2,1H3

InChIKey:

FSLARAPYXMNEFP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CC(=O)N1CCc2c1ccc(c2Cl)Cl
CACTVS 3.385	CC(=O)N1CCc2c(Cl)c(Cl)ccc12

Name:

1-[4,5-bis(chloranyl)-2,3-dihydroindol-1-yl]ethanone

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).