BioLiP

PDB

BioLiP

PDB CCD ID:

A1B8Z

Number of entries in BioLiP:

Chemical formula:

C18 H15 Cl N4 O

InChI:

InChI=1S/C18H15ClN4O/c19-14-2-4-17(23-6-5-20-11-23)16(8-14)18(24)22-15-3-1-12-9-21-10-13(12)7-15/h1-8,11,21H,9-10H2,(H,22,24)

InChIKey:

KYVJOSVEUDQHNK-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	Clc1cc(c(cc1)n1ccnc1)C(=O)Nc1cc2CNCc2cc1
CACTVS 3.385	Clc1ccc(n2ccnc2)c(c1)C(=O)Nc3ccc4CNCc4c3
OpenEye OEToolkits 3.1.0.0	c1cc2c(cc1NC(=O)c3cc(ccc3n4ccnc4)Cl)CNC2

Name:

(2M)-5-chloro-N-(2,3-dihydro-1H-isoindol-5-yl)-2-(1H-imidazol-1-yl)benzamide

ChEMBL:

CHEMBL5598938

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).