BioLiP

PDB

BioLiP

PDB CCD ID:

5UX

Number of entries in BioLiP:

Chemical formula:

C19 H15 Cl2 F N2

InChI:

InChI=1S/C19H15Cl2FN2/c20-11-5-7-14-18(9-11)24-17-4-2-1-3-13(17)19(14)23-12-6-8-16(22)15(21)10-12/h5-10H,1-4H2,(H,23,24)

InChIKey:

NOLHCVSBSMPRCH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	c1cc(c(cc1Nc2c3ccc(cc3nc4c2CCCC4)Cl)Cl)F
CACTVS 3.385	Fc1ccc(Nc2c3CCCCc3nc4cc(Cl)ccc24)cc1Cl

Name:

6-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine

ZINC:

ZINC000004924425

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).