BioLiP

PDB

BioLiP

PDB CCD ID:

E1K

Number of entries in BioLiP:

Chemical formula:

C14 H16 Cl N2

InChI:

InChI=1S/C14H15ClN2/c1-17-12-5-3-2-4-10(12)14(16)11-7-6-9(15)8-13(11)17/h6-8,16H,2-5H2,1H3/p+1

InChIKey:

NNLSQYGKFPZYHI-UHFFFAOYSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C[n+]1c2cc(ccc2c(c3c1CCCC3)N)Cl
CACTVS 3.385	C[n+]1c2CCCCc2c(N)c3ccc(Cl)cc13

Name:

6-chloranyl-10-methyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine

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).