BioLiP

PDB

BioLiP

PDB CCD ID:

A1LVW

Number of entries in BioLiP:

Chemical formula:

C23 H23 Cl2 N5

InChI:

InChI=1S/C23H23Cl2N5/c1-30(12-10-28-20-6-8-26-22-14-16(24)2-4-18(20)22)13-11-29-21-7-9-27-23-15-17(25)3-5-19(21)23/h2-9,14-15H,10-13H2,1H3,(H,26,28)(H,27,29)

InChIKey:

WDGQVCRQXSYPCW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(CCNc1ccnc2cc(Cl)ccc12)CCNc3ccnc4cc(Cl)ccc34
OpenEye OEToolkits 2.0.7	CN(CCNc1ccnc2c1ccc(c2)Cl)CCNc3ccnc4c3ccc(c4)Cl

Name:

Lys01;
~{N}-(7-chloranylquinolin-4-yl)-~{N}'-[2-[(7-chloranylquinolin-4-yl)amino]ethyl]-~{N}'-methyl-ethane-1,2-diamine

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).