BioLiP

PDB

BioLiP

PDB CCD ID:

RL6

Number of entries in BioLiP:

Chemical formula:

C11 H9 Cl2 N O

InChI:

InChI=1S/C11H9Cl2NO/c1-6-3-4-9-10(11(6)13)8(12)5-14(9)7(2)15/h3-5H,1-2H3

InChIKey:

IETDZXPYBWJKDH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	Cc1ccc2c(c1Cl)c(cn2C(=O)C)Cl
CACTVS 3.385	CC(=O)n1cc(Cl)c2c(Cl)c(C)ccc12

Name:

1-[3,4-bis(chloranyl)-5-methyl-indol-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).