BioLiP

PDB

BioLiP

PDB CCD ID:

NYQ

Number of entries in BioLiP:

Chemical formula:

C8 H6 Br N O

InChI:

InChI=1S/C8H6BrNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)

InChIKey:

VIMNAEVMZXIKFL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Brc1ccc2NC(=O)Cc2c1
OpenEye OEToolkits 2.0.7	c1cc2c(cc1Br)CC(=O)N2

Name:

5-bromanyl-1,3-dihydroindol-2-one

ZINC:

ZINC000002565584

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).