BioLiP

PDB

BioLiP

PDB CCD ID:

TNH

Number of entries in BioLiP:

Chemical formula:

C25 H30 N4 O

InChI:

InChI=1S/C25H30N4O/c30-25(19-10-9-15-26-18-19)28-17-8-2-1-7-16-27-24-20-11-3-5-13-22(20)29-23-14-6-4-12-21(23)24/h3,5,9-11,13,15,18H,1-2,4,6-8,12,14,16-17H2,(H,27,29)(H,28,30)

InChIKey:

QMTDQDYAGOQABA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCNC(=O)c4cccnc4
ACDLabs 12.01	O=C(NCCCCCCNc1c3ccccc3nc2c1CCCC2)c4cccnc4
CACTVS 3.385	O=C(NCCCCCCNc1c2CCCCc2nc3ccccc13)c4cccnc4

Name:

N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]pyridine-3-carboxamide;
2-{2-[(1,2,3,4-tetrahydroacridin- 9-yl)amino]hexyl}N-nicotinamide

ZINC:

ZINC000212178500

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).