BioLiP

PDB

BioLiP

PDB CCD ID:

GDW

Number of entries in BioLiP:

Chemical formula:

C21 H24 N2 O2

InChI:

InChI=1S/C21H24N2O2/c1-3-22(4-2)12-13-23-16-10-7-11-17(24)18(16)19-20(23)14-8-5-6-9-15(14)21(19)25/h5-6,8-9H,3-4,7,10-13H2,1-2H3

InChIKey:

YOZDJVVFWHDNEK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCN(CC)CCn1c2c(c3c1-c4ccccc4C3=O)C(=O)CCC2
CACTVS 3.385	CCN(CC)CCn1c2CCCC(=O)c2c3C(=O)c4ccccc4c13

Name:

5-[2-(diethylamino)ethyl]-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione

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).