BioLiP

PDB

BioLiP

PDB CCD ID:

7AD

Number of entries in BioLiP:

Chemical formula:

C19 H22 N4 O

InChI:

InChI=1S/C19H22N4O/c1-23(2)12-6-11-21-19(24)15-9-5-8-14-17(20)13-7-3-4-10-16(13)22-18(14)15/h3-5,7-10H,6,11-12H2,1-2H3,(H2,20,22)(H,21,24)

InChIKey:

VNWAULKXOPRJEL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CN(C)CCCNC(=O)c1cccc2c(N)c3ccccc3nc12
ACDLabs 10.04	O=C(c2cccc1c(c3c(nc12)cccc3)N)NCCCN(C)C
OpenEye OEToolkits 1.5.0	CN(C)CCCNC(=O)c1cccc2c1nc3ccccc3c2N

Name:

9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-4-CARBOXAMIDE

ChEMBL:

CHEMBL287038

DrugBank:

DB02842

ZINC:

ZINC000005957683

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).