BioLiP

PDB

BioLiP

PDB CCD ID:

QUL

Number of entries in BioLiP:

Chemical formula:

C21 H24 N4

InChI:

InChI=1S/C21H24N4/c1-3-25(4-2)14-13-22-19-15-9-5-7-11-17(15)23-20-16-10-6-8-12-18(16)24-21(19)20/h5-12,24H,3-4,13-14H2,1-2H3,(H,22,23)

InChIKey:

BWWJYRDFOAYKCH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CCN(CC)CCNc1c2ccccc2nc3c1[nH]c4c3cccc4
ACDLabs 12.01	n2c1ccccc1c(c4c2c3ccccc3n4)NCCN(CC)CC
CACTVS 3.370	CCN(CC)CCNc1c2[nH]c3ccccc3c2nc4ccccc14

Name:

N,N-diethyl-N'-(10H-indolo[3,2-b]quinolin-11-yl)ethane-1,2-diamine

ChEMBL:

CHEMBL222252

ZINC:

ZINC000040584616

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).