BioLiP

PDB

BioLiP

PDB CCD ID:

ATV

Number of entries in BioLiP:

Chemical formula:

C15 H11 N O3

InChI:

InChI=1S/C15H11NO3/c17-14-11-5-1-3-9-4-2-6-12(13(9)11)15(18)16(14)7-10-8-19-10/h1-6,10H,7-8H2/t10-/m1/s1

InChIKey:

TVMJTOKZNPCXOO-SNVBAGLBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC4CO4
CACTVS 3.352	O=C1N(C[CH]2CO2)C(=O)c3cccc4cccc1c34
OpenEye OEToolkits 1.7.0	c1cc2cccc3c2c(c1)C(=O)N(C3=O)C[C@@H]4CO4
CACTVS 3.352	O=C1N(C[C@@H]2CO2)C(=O)c3cccc4cccc1c34

Name:

2-[(2R)-oxiran-2-ylmethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione;
N-(2,3-epoxypropyl)-1,8-naphthalimide

ZINC:

ZINC000004013905

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).