BioLiP

PDB

BioLiP

PDB CCD ID:

A1B8M

Number of entries in BioLiP:

Chemical formula:

C19 H19 N3 O2

InChI:

InChI=1S/C19H19N3O2/c1-19(2)15-8-11(4-6-16(15)22-18(19)24)17(23)21-14-5-3-12-9-20-10-13(12)7-14/h3-8,20H,9-10H2,1-2H3,(H,21,23)(H,22,24)

InChIKey:

WHUUMKMADJLIFG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC1(C)C(=O)Nc2ccc(cc12)C(=O)Nc3ccc4CNCc4c3
OpenEye OEToolkits 3.1.0.0	CC1(c2cc(ccc2NC1=O)C(=O)Nc3ccc4c(c3)CNC4)C
ACDLabs 14.52	O=C1Nc2ccc(cc2C1(C)C)C(=O)Nc1ccc2CNCc2c1

Name:

N-(2,3-dihydro-1H-isoindol-5-yl)-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indole-5-carboxamide

ChEMBL:

CHEMBL5606121

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).