BioLiP

PDB

BioLiP

PDB CCD ID:

UC7

Number of entries in BioLiP:

Chemical formula:

C20 H24 N2 O2

InChI:

InChI=1S/C20H24N2O2/c1-3-5-12-21-17-11-10-16-18-14(17)8-7-9-15(18)19(23)22(20(16)24)13-6-4-2/h7-11,21H,3-6,12-13H2,1-2H3

InChIKey:

DXWHZJXKTHGHQF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCNc1ccc2c3c1cccc3C(=O)N(C2=O)CCCC
CACTVS 3.385	CCCCNc1ccc2C(=O)N(CCCC)C(=O)c3cccc1c23
ACDLabs 12.01	O=C1c2ccc(NCCCC)c3cccc(C(=O)N1CCCC)c32

Name:

2-butyl-6-(butylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione

ChEMBL:

CHEMBL1472131

ZINC:

ZINC000004344110

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).