BioLiP

PDB

BioLiP

PDB CCD ID:

A1B8W

Number of entries in BioLiP:

Chemical formula:

C16 H13 Br N4 O2

InChI:

InChI=1S/C16H13BrN4O2/c17-10-4-12(14-13(5-10)20-16(23)21-14)15(22)19-11-2-1-8-6-18-7-9(8)3-11/h1-5,18H,6-7H2,(H,19,22)(H2,20,21,23)

InChIKey:

ICDGBAJYMSURGO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Brc1cc2NC(=O)Nc2c(c1)C(=O)Nc3ccc4CNCc4c3
ACDLabs 14.52	Brc1cc(c2NC(=O)Nc2c1)C(=O)Nc1ccc2CNCc2c1
OpenEye OEToolkits 3.1.0.0	c1cc2c(cc1NC(=O)c3cc(cc4c3NC(=O)N4)Br)CNC2

Name:

6-bromo-N-(2,3-dihydro-1H-isoindol-5-yl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-4-carboxamide

ChEMBL:

CHEMBL5604344

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).