BioLiP

PDB

BioLiP

PDB CCD ID:

RFO

Number of entries in BioLiP:

Chemical formula:

C11 H10 Cl N O2

InChI:

InChI=1S/C11H10ClNO2/c1-15-7-11(14)13-6-5-8-9(12)3-2-4-10(8)13/h2-6H,7H2,1H3

InChIKey:

SLZGAMVJAWAHJX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COCC(=O)n1ccc2c(Cl)cccc12
OpenEye OEToolkits 3.1.0.0	COCC(=O)n1ccc2c1cccc2Cl

Name:

1-(4-chloranylindol-1-yl)-2-methoxy-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).